(Z)-2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid

C7H6O2S2 — CID 10330074

IUPAC(Z)-2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid
SMILESO=C(O)/C(S)=C/c1cccs1
InChIInChI=1S/C7H6O2S2/c8-7(9)6(10)4-5-2-1-3-11-5/h1-4,10H,(H,8,9)/b6-4-
InChIKeyABROOERZVAKZQQ-XQRVVYSFSA-N
MW186.26 g/mol
LogP2.10
Rot. Bonds2

About (Z)-2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid

(Z)-2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid (PubChem CID 10330074) has the molecular formula C7H6O2S2 and a molecular weight of 186.26 g/mol. Its IUPAC name is (Z)-2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid
PubChem CID10330074
Molecular FormulaC7H6O2S2
Molecular Weight186.26 g/mol
Exact Mass185.98
IUPAC Name(Z)-2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid
SMILESO=C(O)/C(S)=C/c1cccs1
InChIInChI=1S/C7H6O2S2/c8-7(9)6(10)4-5-2-1-3-11-5/h1-4,10H,(H,8,9)/b6-4-
InChIKeyABROOERZVAKZQQ-XQRVVYSFSA-N
XLogP2.10
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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(2E)-3-(3-Bromo-2-thienyl)-2-propenoic acid
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CID 5709013
3-(Thiophen-2-yl)acrylic acid
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3-(2-Thienyl)-2-propynoic acid
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2-(((Thiophen-2-yl)methyl)sulfanyl)acetic acid
CID 2579954
(E)-3-(5-Chlorothiophen-2-YL)acrylic acid
CID 13100450
(2E)-2-methyl-3-(thiophen-2-yl)prop-2-enoic acid
CID 5374138
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CID 2060001

Frequently Asked Questions

What is the IUPAC name of (Z)-2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid?
The IUPAC name of (Z)-2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid (CID 10330074) is (Z)-2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid.
What is the SMILES notation for (Z)-2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid?
The canonical SMILES for (Z)-2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid is O=C(O)/C(S)=C/c1cccs1.
What is the InChIKey of (Z)-2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid?
The InChIKey is ABROOERZVAKZQQ-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H6O2S2/c8-7(9)6(10)4-5-2-1-3-11-5/h1-4,10H,(H,8,9)/b6-4-.
What are the key properties of (Z)-2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid?
(Z)-2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid has a molecular weight of 186.26 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid is sourced from PubChem (CID 10330074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).