2-(3-chloro-4-hydroxyphenyl)sulfanylacetonitrile

C8H6ClNOS — CID 10130383

IUPAC2-(3-chloro-4-hydroxyphenyl)sulfanylacetonitrile
SMILESN#CCSc1ccc(O)c(Cl)c1
InChIInChI=1S/C8H6ClNOS/c9-7-5-6(12-4-3-10)1-2-8(7)11/h1-2,5,11H,4H2
InChIKeyPLUDPLJNTJHQCY-UHFFFAOYSA-N
MW199.66 g/mol
LogP2.66
Rot. Bonds2

About 2-(3-chloro-4-hydroxyphenyl)sulfanylacetonitrile

2-(3-chloro-4-hydroxyphenyl)sulfanylacetonitrile (PubChem CID 10130383) has the molecular formula C8H6ClNOS and a molecular weight of 199.66 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxyphenyl)sulfanylacetonitrile.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxyphenyl)sulfanylacetonitrile
PubChem CID10130383
Molecular FormulaC8H6ClNOS
Molecular Weight199.66 g/mol
Exact Mass198.99
IUPAC Name2-(3-chloro-4-hydroxyphenyl)sulfanylacetonitrile
SMILESN#CCSc1ccc(O)c(Cl)c1
InChIInChI=1S/C8H6ClNOS/c9-7-5-6(12-4-3-10)1-2-8(7)11/h1-2,5,11H,4H2
InChIKeyPLUDPLJNTJHQCY-UHFFFAOYSA-N
XLogP2.66
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-4-hydroxyphenyl)sulfanylacetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butylsulfanyl-2-chlorophenol
CID 102249148
2-chloro-4-(6-hydroxyhexylsulfanyl)phenol
CID 19745479
2-chloro-4-(disulfanyl)phenol
CID 123357058
2-(4-fluorophenyl)sulfanylacetonitrile
CID 581375
4-benzylsulfanyl-2-chlorophenol;4-bromo-2-chlorophenol
CID 161063142
2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)phenol
CID 13052054
2-[(3-chloro-4-hydroxyphenyl)methylamino]acetonitrile
CID 130620315
2-(3-chloro-4-hydroxyphenyl)sulfanylethyl 2-(3-chloro-4-hydroxyphenyl)sulfanylpropanoate
CID 54091421
N-(cyanomethyl)-2-(3,4-dichlorophenyl)sulfanylacetamide
CID 71995493
2-chloro-4-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylsulfanyl]phenol
CID 59403263
2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenol
CID 14273272
2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfanyl]acetonitrile
CID 116853847

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxyphenyl)sulfanylacetonitrile?
The IUPAC name of 2-(3-chloro-4-hydroxyphenyl)sulfanylacetonitrile (CID 10130383) is 2-(3-chloro-4-hydroxyphenyl)sulfanylacetonitrile.
What is the SMILES notation for 2-(3-chloro-4-hydroxyphenyl)sulfanylacetonitrile?
The canonical SMILES for 2-(3-chloro-4-hydroxyphenyl)sulfanylacetonitrile is N#CCSc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-hydroxyphenyl)sulfanylacetonitrile?
The InChIKey is PLUDPLJNTJHQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNOS/c9-7-5-6(12-4-3-10)1-2-8(7)11/h1-2,5,11H,4H2.
What are the key properties of 2-(3-chloro-4-hydroxyphenyl)sulfanylacetonitrile?
2-(3-chloro-4-hydroxyphenyl)sulfanylacetonitrile has a molecular weight of 199.66 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxyphenyl)sulfanylacetonitrile is sourced from PubChem (CID 10130383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).