ethene;2-sulfanylprop-2-enoic acid

C5H8O2S — CID 159094819

IUPACethene;2-sulfanylprop-2-enoic acid
SMILESC=C.C=C(S)C(=O)O
InChIInChI=1S/C3H4O2S.C2H4/c1-2(6)3(4)5;1-2/h6H,1H2,(H,4,5);1-2H2
InChIKeyKCNMUWRHTJNQDP-UHFFFAOYSA-N
MW132.18 g/mol
LogP1.32
Rot. Bonds1

About ethene;2-sulfanylprop-2-enoic acid

ethene;2-sulfanylprop-2-enoic acid (PubChem CID 159094819) has the molecular formula C5H8O2S and a molecular weight of 132.18 g/mol. Its IUPAC name is ethene;2-sulfanylprop-2-enoic acid.

Molecular Properties

Compound Nameethene;2-sulfanylprop-2-enoic acid
PubChem CID159094819
Molecular FormulaC5H8O2S
Molecular Weight132.18 g/mol
Exact Mass132.02
IUPAC Nameethene;2-sulfanylprop-2-enoic acid
SMILESC=C.C=C(S)C(=O)O
InChIInChI=1S/C3H4O2S.C2H4/c1-2(6)3(4)5;1-2/h6H,1H2,(H,4,5);1-2H2
InChIKeyKCNMUWRHTJNQDP-UHFFFAOYSA-N
XLogP1.32
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene;2-sulfanylprop-2-enoic acid
CID 161135890
naphthalene;2-sulfanylprop-2-enoic acid
CID 174922746
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CID 160906075
2-hydroxybutanoic acid;2-sulfanylprop-2-enoic acid
CID 159105780
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
carbonic acid;ethene
CID 18430440
carbonothioic O,S-acid
CID 173160462
azane;2-hydroxyprop-2-enoic acid
CID 158386305
carbonic acid;ethene;hydrochloride
CID 87649184
2-methylidenepropanedioic acid;hydrate
CID 158875494
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
acetic acid;2-methylprop-2-enoic acid
CID 21426946

Frequently Asked Questions

What is the IUPAC name of ethene;2-sulfanylprop-2-enoic acid?
The IUPAC name of ethene;2-sulfanylprop-2-enoic acid (CID 159094819) is ethene;2-sulfanylprop-2-enoic acid.
What is the SMILES notation for ethene;2-sulfanylprop-2-enoic acid?
The canonical SMILES for ethene;2-sulfanylprop-2-enoic acid is C=C.C=C(S)C(=O)O.
What is the InChIKey of ethene;2-sulfanylprop-2-enoic acid?
The InChIKey is KCNMUWRHTJNQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2S.C2H4/c1-2(6)3(4)5;1-2/h6H,1H2,(H,4,5);1-2H2.
What are the key properties of ethene;2-sulfanylprop-2-enoic acid?
ethene;2-sulfanylprop-2-enoic acid has a molecular weight of 132.18 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-sulfanylprop-2-enoic acid is sourced from PubChem (CID 159094819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).