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[ CAS No. 882-33-7 ] {[proInfo.proName]}

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There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 882-33-7
Chemical Structure| 882-33-7
Structure of 882-33-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 882-33-7 ]

CAS No. :882-33-7 MDL No. :MFCD00003065
Formula : C12H10S2 Boiling Point : -
Linear Structure Formula :- InChI Key :GUUVPOWQJOLRAS-UHFFFAOYSA-N
M.W : 218.34 Pubchem ID :13436
Synonyms :
Chemical Name :1,2-Diphenyldisulfane

Calculated chemistry of [ 882-33-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.0
Num. rotatable bonds : 3
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 64.6
TPSA : 50.6 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.5 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.82
Log Po/w (XLOGP3) : 4.41
Log Po/w (WLOGP) : 4.49
Log Po/w (MLOGP) : 4.41
Log Po/w (SILICOS-IT) : 3.71
Consensus Log Po/w : 3.97

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -4.41
Solubility : 0.00853 mg/ml ; 0.0000391 mol/l
Class : Moderately soluble
Log S (Ali) : -5.19
Solubility : 0.00141 mg/ml ; 0.00000646 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -5.14
Solubility : 0.00157 mg/ml ; 0.00000721 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.45

Safety of [ 882-33-7 ]

Signal Word:Danger Class:9
Precautionary Statements:P501-P273-P260-P270-P264-P280-P391-P314-P337+P313-P305+P351+P338-P301+P312+P330 UN#:3077
Hazard Statements:H302-H319-H372-H410 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 882-33-7 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 882-33-7 ]
  • Downstream synthetic route of [ 882-33-7 ]

[ 882-33-7 ] Synthesis Path-Upstream   1~16

  • 1
  • [ 1780-72-9 ]
  • [ 108-98-5 ]
  • [ 31230-17-8 ]
  • [ 882-33-7 ]
Reference: [1] Journal of Organic Chemistry, 2017, vol. 82, # 1, p. 157 - 169
  • 2
  • [ 16767-75-2 ]
  • [ 4551-15-9 ]
  • [ 10416-59-8 ]
  • [ 107-46-0 ]
  • [ 882-33-7 ]
Reference: [1] J. Gen. Chem. USSR (Engl. Transl.), 1983, vol. 53, # 5, p. 891 - 894[2] Zhurnal Obshchei Khimii, 1983, vol. 53, # 5, p. 1009 - 1013
  • 3
  • [ 1261174-44-0 ]
  • [ 67-56-1 ]
  • [ 2077-19-2 ]
  • [ 882-33-7 ]
Reference: [1] Journal of Organic Chemistry, 2011, vol. 76, # 2, p. 573 - 582
  • 4
  • [ 1261174-44-0 ]
  • [ 2077-19-2 ]
  • [ 17818-09-6 ]
  • [ 882-33-7 ]
Reference: [1] Phosphorus, Sulfur and Silicon and the Related Elements, 2013, vol. 188, # 4, p. 322 - 330
  • 5
  • [ 127-08-2 ]
  • [ 197142-05-5 ]
  • [ 830-79-5 ]
  • [ 61040-78-6 ]
  • [ 882-33-7 ]
  • [ 149286-58-8 ]
Reference: [1] Tetrahedron, 1997, vol. 53, # 36, p. 12287 - 12298
  • 6
  • [ 125330-16-7 ]
  • [ 930-69-8 ]
  • [ 64248-63-1 ]
  • [ 882-33-7 ]
Reference: [1] Journal of the American Chemical Society, 1993, vol. 115, # 17, p. 7584 - 7592
  • 7
  • [ 693-58-3 ]
  • [ 882-33-7 ]
  • [ 56358-04-4 ]
Reference: [1] Synthesis, 2005, # 3, p. 447 - 457
  • 8
  • [ 88047-08-9 ]
  • [ 13065-93-5 ]
  • [ 882-33-7 ]
Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1983, p. 2111 - 2117
  • 9
  • [ 100-68-5 ]
  • [ 104-95-0 ]
  • [ 19614-16-5 ]
  • [ 882-33-7 ]
Reference: [1] Green Chemistry, 2018, vol. 20, # 19, p. 4448 - 4452
[2] Green Chemistry, 2018, vol. 20, # 19, p. 4448 - 4452
  • 10
  • [ 873-55-2 ]
  • [ 1535-65-5 ]
  • [ 882-33-7 ]
  • [ 122590-93-6 ]
Reference: [1] Journal of Fluorine Chemistry, 1989, vol. 43, p. 53 - 66
  • 11
  • [ 75-45-6 ]
  • [ 873-55-2 ]
  • [ 1535-65-5 ]
  • [ 882-33-7 ]
  • [ 122590-93-6 ]
Reference: [1] Journal of Fluorine Chemistry, 1989, vol. 43, p. 53 - 66
  • 12
  • [ 159583-78-5 ]
  • [ 7356-11-8 ]
  • [ 882-33-7 ]
Reference: [1] Phosphorus, Sulfur and Silicon and the Related Elements, 1994, vol. 88, # 1-4, p. 113 - 122
  • 13
  • [ 882-33-7 ]
  • [ 3111-52-2 ]
Reference: [1] Russian Chemical Bulletin, 2014, vol. 63, # 8, p. 1722 - 1727[2] Izvestiya Akademii Nauk. Seriya Khimicheskaya, 2014, # 8, p. 1722 - 1727,6
[3] Russian Journal of General Chemistry, 2014, vol. 84, # 11, p. 2130 - 2137[4] Zh. Obshch. Khim., 2014, vol. 84, # 11, p. 1833 - 1840,8
[5] Russian Journal of Organic Chemistry, 2016, vol. 52, # 5, p. 615 - 623[6] Zh. Org. Khim., 2016, vol. 52, # 5, p. 631 - 639,9
[7] Russian Chemical Bulletin, 2015, vol. 64, # 9, p. 2083 - 2089[8] Izv. Akad. Nauk, Ser. Khim., 2015, # 9, p. 2083 - 2089,7
[9] Russian Journal of General Chemistry, 2017, vol. 87, # 3, p. 396 - 401[10] Zh. Obshch. Khim., 2017, vol. 87, # 3, p. 387 - 392
  • 14
  • [ 882-33-7 ]
  • [ 3111-52-2 ]
  • [ 3166-15-2 ]
Reference: [1] Journal of the American Chemical Society, 1981, vol. 103, # 18, p. 5484 - 5489
  • 15
  • [ 1142-97-8 ]
  • [ 14752-66-0 ]
  • [ 882-33-7 ]
Reference: [1] Journal of Organic Chemistry USSR (English Translation), 1984, vol. 20, p. 1160 - 1167[2] Zhurnal Organicheskoi Khimii, 1984, vol. 20, # 6, p. 1276 - 1283
  • 16
  • [ 123317-07-7 ]
  • [ 882-33-7 ]
  • [ 85417-41-0 ]
Reference: [1] Bulletin of the Chemical Society of Japan, 1991, vol. 64, # 6, p. 1782 - 1786
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