(2R)-2-phenyl-2-prop-2-enylsulfanylacetic acid

C11H12O2S — CID 67041690

IUPAC(2R)-2-phenyl-2-prop-2-enylsulfanylacetic acid
SMILESC=CCS[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C11H12O2S/c1-2-8-14-10(11(12)13)9-6-4-3-5-7-9/h2-7,10H,1,8H2,(H,12,13)/t10-/m1/s1
InChIKeyIYHUVVNSLYYTOI-SNVBAGLBSA-N
MW208.28 g/mol
LogP2.73
Rot. Bonds5

About (2R)-2-phenyl-2-prop-2-enylsulfanylacetic acid

(2R)-2-phenyl-2-prop-2-enylsulfanylacetic acid (PubChem CID 67041690) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is (2R)-2-phenyl-2-prop-2-enylsulfanylacetic acid.

Molecular Properties

Compound Name(2R)-2-phenyl-2-prop-2-enylsulfanylacetic acid
PubChem CID67041690
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name(2R)-2-phenyl-2-prop-2-enylsulfanylacetic acid
SMILESC=CCS[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C11H12O2S/c1-2-8-14-10(11(12)13)9-6-4-3-5-7-9/h2-7,10H,1,8H2,(H,12,13)/t10-/m1/s1
InChIKeyIYHUVVNSLYYTOI-SNVBAGLBSA-N
XLogP2.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

lithium (2S)-2-phenyl-2-prop-2-enylsulfanylacetate
CID 67041651
4-phenyl-4-prop-2-enylsulfanylbutan-2-one
CID 11458683
1,3-diphenyl-3-prop-2-enylsulfanylpropan-1-one
CID 11514699
2-phenyl-2-prop-2-enoxycarbothioylsulfanylacetic acid
CID 117059488
2-(2-amino-2-methylpropyl)sulfanyl-2-phenylacetic acid
CID 66228037
2-(3-methoxypropylsulfanyl)-2-phenylacetic acid
CID 63857542
2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene
CID 174460969
(2S)-2-phenylhex-5-enoic acid
CID 92982258
2-[bis(prop-2-enyl)amino]-2-phenylacetic acid
CID 22683784
(2S)-2-[bis(prop-2-enyl)amino]-2-phenylacetic acid
CID 42179506
4,6-diphenylnona-1,8-dien-5-one
CID 69419927
[(1R)-1-phenylbut-3-enyl] prop-2-enoate
CID 11195026

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-prop-2-enylsulfanylacetic acid?
The IUPAC name of (2R)-2-phenyl-2-prop-2-enylsulfanylacetic acid (CID 67041690) is (2R)-2-phenyl-2-prop-2-enylsulfanylacetic acid.
What is the SMILES notation for (2R)-2-phenyl-2-prop-2-enylsulfanylacetic acid?
The canonical SMILES for (2R)-2-phenyl-2-prop-2-enylsulfanylacetic acid is C=CCS[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-prop-2-enylsulfanylacetic acid?
The InChIKey is IYHUVVNSLYYTOI-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12O2S/c1-2-8-14-10(11(12)13)9-6-4-3-5-7-9/h2-7,10H,1,8H2,(H,12,13)/t10-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-prop-2-enylsulfanylacetic acid?
(2R)-2-phenyl-2-prop-2-enylsulfanylacetic acid has a molecular weight of 208.28 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-prop-2-enylsulfanylacetic acid is sourced from PubChem (CID 67041690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).