2-(4-chlorosulfanylphenyl)acetic acid

C8H7ClO2S — CID 146211167

IUPAC2-(4-chlorosulfanylphenyl)acetic acid
SMILESO=C(O)Cc1ccc(SCl)cc1
InChIInChI=1S/C8H7ClO2S/c9-12-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKeyPUEOZGJXQBYCBY-UHFFFAOYSA-N
MW202.66 g/mol
LogP2.56
Rot. Bonds3

About 2-(4-chlorosulfanylphenyl)acetic acid

2-(4-chlorosulfanylphenyl)acetic acid (PubChem CID 146211167) has the molecular formula C8H7ClO2S and a molecular weight of 202.66 g/mol. Its IUPAC name is 2-(4-chlorosulfanylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-chlorosulfanylphenyl)acetic acid
PubChem CID146211167
Molecular FormulaC8H7ClO2S
Molecular Weight202.66 g/mol
Exact Mass201.99
IUPAC Name2-(4-chlorosulfanylphenyl)acetic acid
SMILESO=C(O)Cc1ccc(SCl)cc1
InChIInChI=1S/C8H7ClO2S/c9-12-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKeyPUEOZGJXQBYCBY-UHFFFAOYSA-N
XLogP2.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(4-chlorosulfanylphenyl)acetate
CID 143520088
2-[4-(4-ethylphenyl)sulfanylphenyl]acetic acid
CID 91879301
2-[4-(2-phenylethylsulfanyl)phenyl]acetic acid
CID 64926976
2-[4-(3-amino-3-oxopropyl)sulfanylphenyl]acetic acid
CID 64927564
2-[4-(4-methylsulfanylphenoxy)phenyl]acetic acid
CID 70507795
4-[4-(carboxymethyl)phenyl]sulfanyl-2-chlorobenzoic acid
CID 91878693
2-[4-(4-bromo-3-chlorophenyl)sulfanylphenyl]acetic acid
CID 91877480
copper 2-phenylacetic acid
CID 54609410
2-phenylacetic acid;silver
CID 50912513
2-phenylacetic acid;dihydrate
CID 168967514
tris(2-phenylacetic acid);rhodium
CID 11168112
chloro hypochlorite;2-phenylacetic acid
CID 174297587

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorosulfanylphenyl)acetic acid?
The IUPAC name of 2-(4-chlorosulfanylphenyl)acetic acid (CID 146211167) is 2-(4-chlorosulfanylphenyl)acetic acid.
What is the SMILES notation for 2-(4-chlorosulfanylphenyl)acetic acid?
The canonical SMILES for 2-(4-chlorosulfanylphenyl)acetic acid is O=C(O)Cc1ccc(SCl)cc1.
What is the InChIKey of 2-(4-chlorosulfanylphenyl)acetic acid?
The InChIKey is PUEOZGJXQBYCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO2S/c9-12-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11).
What are the key properties of 2-(4-chlorosulfanylphenyl)acetic acid?
2-(4-chlorosulfanylphenyl)acetic acid has a molecular weight of 202.66 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorosulfanylphenyl)acetic acid is sourced from PubChem (CID 146211167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).