2-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfanylacetonitrile

C11H12ClNOS — CID 116853812

IUPAC2-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfanylacetonitrile
SMILESCOc1cc(C)c(Cl)c(C)c1SCC#N
InChIInChI=1S/C11H12ClNOS/c1-7-6-9(14-3)11(15-5-4-13)8(2)10(7)12/h6H,5H2,1-3H3
InChIKeyFAEFORPRNQHGQG-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.58
Rot. Bonds3

About 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfanylacetonitrile

2-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfanylacetonitrile (PubChem CID 116853812) has the molecular formula C11H12ClNOS and a molecular weight of 241.74 g/mol. Its IUPAC name is 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfanylacetonitrile.

Molecular Properties

Compound Name2-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfanylacetonitrile
PubChem CID116853812
Molecular FormulaC11H12ClNOS
Molecular Weight241.74 g/mol
Exact Mass241.03
IUPAC Name2-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfanylacetonitrile
SMILESCOc1cc(C)c(Cl)c(C)c1SCC#N
InChIInChI=1S/C11H12ClNOS/c1-7-6-9(14-3)11(15-5-4-13)8(2)10(7)12/h6H,5H2,1-3H3
InChIKeyFAEFORPRNQHGQG-UHFFFAOYSA-N
XLogP3.58
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4,6-trimethoxyphenyl)sulfanylacetonitrile
CID 116853829
2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfanylacetonitrile
CID 116853795
1-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]cyclobutane-1-carbonitrile
CID 116929209
2-(4-chloro-3-methoxy-5-methylphenyl)acetonitrile
CID 84773818
2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine
CID 116937561
N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine
CID 115226535
2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetonitrile
CID 22695403
3-amino-3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2-dimethylpropanenitrile
CID 116940407
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide
CID 116924450
3-chloro-6-methoxy-N-(methoxymethyl)-N,2,4-trimethylaniline
CID 115258379
2-(2-chloro-6-methoxy-3,5-dimethylphenyl)acetonitrile
CID 84780993
1-(2-chloroethylsulfanyl)-2-methoxy-4,5-dimethylbenzene
CID 117033356

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfanylacetonitrile?
The IUPAC name of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfanylacetonitrile (CID 116853812) is 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfanylacetonitrile.
What is the SMILES notation for 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfanylacetonitrile?
The canonical SMILES for 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfanylacetonitrile is COc1cc(C)c(Cl)c(C)c1SCC#N.
What is the InChIKey of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfanylacetonitrile?
The InChIKey is FAEFORPRNQHGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNOS/c1-7-6-9(14-3)11(15-5-4-13)8(2)10(7)12/h6H,5H2,1-3H3.
What are the key properties of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfanylacetonitrile?
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfanylacetonitrile has a molecular weight of 241.74 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfanylacetonitrile is sourced from PubChem (CID 116853812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).