2-(3-chlorophenyl)-2-thiophen-2-ylsulfanylacetic acid

C12H9ClO2S2 — CID 54593658

IUPAC2-(3-chlorophenyl)-2-thiophen-2-ylsulfanylacetic acid
SMILESO=C(O)C(Sc1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C12H9ClO2S2/c13-9-4-1-3-8(7-9)11(12(14)15)17-10-5-2-6-16-10/h1-7,11H,(H,14,15)
InChIKeyXVWXADZFAGKNBC-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.32
Rot. Bonds4

About 2-(3-chlorophenyl)-2-thiophen-2-ylsulfanylacetic acid

2-(3-chlorophenyl)-2-thiophen-2-ylsulfanylacetic acid (PubChem CID 54593658) has the molecular formula C12H9ClO2S2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-thiophen-2-ylsulfanylacetic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-thiophen-2-ylsulfanylacetic acid
PubChem CID54593658
Molecular FormulaC12H9ClO2S2
Molecular Weight284.79 g/mol
Exact Mass283.97
IUPAC Name2-(3-chlorophenyl)-2-thiophen-2-ylsulfanylacetic acid
SMILESO=C(O)C(Sc1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C12H9ClO2S2/c13-9-4-1-3-8(7-9)11(12(14)15)17-10-5-2-6-16-10/h1-7,11H,(H,14,15)
InChIKeyXVWXADZFAGKNBC-UHFFFAOYSA-N
XLogP4.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-chlorophenyl)-2-thiophen-2-ylsulfanylacetic acid
CID 95242000
1-(4-chlorophenyl)-2-thiophen-2-ylsulfanylpropan-1-one
CID 43801868
2-(2-amino-5-chlorophenyl)sulfanyl-2-phenylacetic acid
CID 79528016
(2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride
CID 91800311
N-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 26908057
2-(3-chlorophenyl)-3-oxobutanoic acid
CID 118537968
(2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 2762309
2-(3-chlorophenyl)-2-hydrazinylacetic acid
CID 82125968
2-(3-chlorophenyl)-3-fluorobutanoic acid
CID 105470514
2-(3-chlorophenyl)-3,3-dimethylbutanoic acid
CID 83823565
2-(3-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid
CID 176645091
3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)propanoic acid
CID 79440338

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-thiophen-2-ylsulfanylacetic acid?
The IUPAC name of 2-(3-chlorophenyl)-2-thiophen-2-ylsulfanylacetic acid (CID 54593658) is 2-(3-chlorophenyl)-2-thiophen-2-ylsulfanylacetic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-2-thiophen-2-ylsulfanylacetic acid?
The canonical SMILES for 2-(3-chlorophenyl)-2-thiophen-2-ylsulfanylacetic acid is O=C(O)C(Sc1cccs1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-thiophen-2-ylsulfanylacetic acid?
The InChIKey is XVWXADZFAGKNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2S2/c13-9-4-1-3-8(7-9)11(12(14)15)17-10-5-2-6-16-10/h1-7,11H,(H,14,15).
What are the key properties of 2-(3-chlorophenyl)-2-thiophen-2-ylsulfanylacetic acid?
2-(3-chlorophenyl)-2-thiophen-2-ylsulfanylacetic acid has a molecular weight of 284.79 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-thiophen-2-ylsulfanylacetic acid is sourced from PubChem (CID 54593658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).