ethyl 2-(3-chlorophenyl)sulfanylacetate

C10H11ClO2S — CID 62648053

IUPACethyl 2-(3-chlorophenyl)sulfanylacetate
SMILESCCOC(=O)CSc1cccc(Cl)c1
InChIInChI=1S/C10H11ClO2S/c1-2-13-10(12)7-14-9-5-3-4-8(11)6-9/h3-6H,2,7H2,1H3
InChIKeyYHQFPGGXXUBCEI-UHFFFAOYSA-N
MW230.72 g/mol
LogP3.00
Rot. Bonds4

About ethyl 2-(3-chlorophenyl)sulfanylacetate

ethyl 2-(3-chlorophenyl)sulfanylacetate (PubChem CID 62648053) has the molecular formula C10H11ClO2S and a molecular weight of 230.72 g/mol. Its IUPAC name is ethyl 2-(3-chlorophenyl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(3-chlorophenyl)sulfanylacetate
PubChem CID62648053
Molecular FormulaC10H11ClO2S
Molecular Weight230.72 g/mol
Exact Mass230.02
IUPAC Nameethyl 2-(3-chlorophenyl)sulfanylacetate
SMILESCCOC(=O)CSc1cccc(Cl)c1
InChIInChI=1S/C10H11ClO2S/c1-2-13-10(12)7-14-9-5-3-4-8(11)6-9/h3-6H,2,7H2,1H3
InChIKeyYHQFPGGXXUBCEI-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-(3-chlorophenyl)sulfanyl-4-oxopentanoate
CID 66323393
ethyl 4-(3-chlorophenyl)sulfanylbutanoate
CID 117058890
1-(3-chlorophenyl)sulfanylbutan-2-one
CID 62648231
2-(3-chlorophenyl)sulfanylacetamide
CID 62647381
ethyl 2-[3-(difluoromethoxy)phenyl]sulfanylacetate
CID 166669650
ethyl 2-[2-(3-chlorophenyl)-2-oxoethyl]sulfanylacetate
CID 43218423
ethyl 2-[3-(propylaminomethyl)phenyl]sulfanylacetate
CID 66349620
ethyl 2-amino-4-(3-chlorophenyl)sulfanyl-2-methylbutanoate
CID 62647395
ethyl 3-(3-chlorophenyl)sulfanyl-2-(ethylamino)propanoate
CID 55101614
ethyl 2-[(4-chloro-2-pyridinyl)sulfanyl]acetate
CID 71304250
2-(3-chlorophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 63406943
ethyl 2-[4-(aminomethyl)phenyl]sulfanylacetate
CID 63808556

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chlorophenyl)sulfanylacetate?
The IUPAC name of ethyl 2-(3-chlorophenyl)sulfanylacetate (CID 62648053) is ethyl 2-(3-chlorophenyl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(3-chlorophenyl)sulfanylacetate?
The canonical SMILES for ethyl 2-(3-chlorophenyl)sulfanylacetate is CCOC(=O)CSc1cccc(Cl)c1.
What is the InChIKey of ethyl 2-(3-chlorophenyl)sulfanylacetate?
The InChIKey is YHQFPGGXXUBCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2S/c1-2-13-10(12)7-14-9-5-3-4-8(11)6-9/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 2-(3-chlorophenyl)sulfanylacetate?
ethyl 2-(3-chlorophenyl)sulfanylacetate has a molecular weight of 230.72 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chlorophenyl)sulfanylacetate is sourced from PubChem (CID 62648053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).