Home Cart 0 Sign in  

[ CAS No. 14446-47-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 14446-47-0
Chemical Structure| 14446-47-0
Structure of 14446-47-0 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 14446-47-0 ]

Related Doc. of [ 14446-47-0 ]

Alternatived Products of [ 14446-47-0 ]

Product Details of [ 14446-47-0 ]

CAS No. :14446-47-0 MDL No. :MFCD20483376
Formula : C3H8ClNS Boiling Point : -
Linear Structure Formula :- InChI Key :MPGQQQKGAXDBDN-UHFFFAOYSA-N
M.W : 125.62 Pubchem ID :12444283
Synonyms :

Calculated chemistry of [ 14446-47-0 ]

Physicochemical Properties

Num. heavy atoms : 6
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 35.69
TPSA : 37.33 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.27 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.12
Log Po/w (WLOGP) : 0.7
Log Po/w (MLOGP) : 0.35
Log Po/w (SILICOS-IT) : 1.66
Consensus Log Po/w : 0.77

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.32
Solubility : 5.95 mg/ml ; 0.0474 mol/l
Class : Very soluble
Log S (Ali) : -1.5
Solubility : 4.0 mg/ml ; 0.0318 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.77
Solubility : 21.2 mg/ml ; 0.169 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.96

Safety of [ 14446-47-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 14446-47-0 ]

* 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 [ 14446-47-0 ]
  • Downstream synthetic route of [ 14446-47-0 ]

[ 14446-47-0 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 50-00-0 ]
  • [ 156-57-0 ]
  • [ 14446-47-0 ]
Reference: [1] Biochemical and Biophysical Research Communications, 2010, vol. 403, # 3-4, p. 442 - 446
[2] Journal of the American Chemical Society, 1937, vol. 59, p. 200,201, 205
[3] Tetrahedron, 2008, vol. 64, # 17, p. 3691 - 3700
[4] Patent: WO2015/173779, 2015, A1, . Location in patent: Page/Page column 26
Same Skeleton Products
Historical Records

Related Parent Nucleus of
[ 14446-47-0 ]

Aliphatic Heterocycles

Chemical Structure| 2682-49-7

[ 2682-49-7 ]

Thiazolidin-2-one

Similarity: 0.67

Chemical Structure| 2295-31-0

[ 2295-31-0 ]

2,4-Thiazolidinedione

Similarity: 0.55

Chemical Structure| 26364-65-8

[ 26364-65-8 ]

2-Cyanoimino-1,3-thiazolidine

Similarity: 0.54

Chemical Structure| 1993017-93-8

[ 1993017-93-8 ]

1-(Thiazolidin-2-yl)ethanone hydrochloride

Similarity: 0.51

Chemical Structure| 16310-13-7

[ 16310-13-7 ]

Thiazolidine-2-carboxylic acid

Similarity: 0.50