2-[(E)-2-phenylethenyl]sulfanylacetic acid

C10H10O2S — CID 5474136

IUPAC2-[(E)-2-phenylethenyl]sulfanylacetic acid
SMILESO=C(O)CS/C=C/c1ccccc1
InChIInChI=1S/C10H10O2S/c11-10(12)8-13-7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,12)/b7-6+
InChIKeyIUEVBKDVPSQVLM-VOTSOKGWSA-N
MW194.25 g/mol
LogP2.48
Rot. Bonds4

About 2-[(E)-2-phenylethenyl]sulfanylacetic acid

2-[(E)-2-phenylethenyl]sulfanylacetic acid (PubChem CID 5474136) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]sulfanylacetic acid
PubChem CID5474136
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name2-[(E)-2-phenylethenyl]sulfanylacetic acid
SMILESO=C(O)CS/C=C/c1ccccc1
InChIInChI=1S/C10H10O2S/c11-10(12)8-13-7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,12)/b7-6+
InChIKeyIUEVBKDVPSQVLM-VOTSOKGWSA-N
XLogP2.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]sulfanylacetic acid?
The IUPAC name of 2-[(E)-2-phenylethenyl]sulfanylacetic acid (CID 5474136) is 2-[(E)-2-phenylethenyl]sulfanylacetic acid.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]sulfanylacetic acid?
The canonical SMILES for 2-[(E)-2-phenylethenyl]sulfanylacetic acid is O=C(O)CS/C=C/c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]sulfanylacetic acid?
The InChIKey is IUEVBKDVPSQVLM-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H10O2S/c11-10(12)8-13-7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,12)/b7-6+.
What are the key properties of 2-[(E)-2-phenylethenyl]sulfanylacetic acid?
2-[(E)-2-phenylethenyl]sulfanylacetic acid has a molecular weight of 194.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]sulfanylacetic acid is sourced from PubChem (CID 5474136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).