acetic acid;ethenethiol

C4H8O2S — CID 158183223

IUPACacetic acid;ethenethiol
SMILESC=CS.CC(=O)O
InChIInChI=1S/C2H4O2.C2H4S/c1-2(3)4;1-2-3/h1H3,(H,3,4);2-3H,1H2
InChIKeyFYVQWTGCQZZGIT-UHFFFAOYSA-N
MW120.17 g/mol
LogP1.15
Rot. Bonds

About acetic acid;ethenethiol

acetic acid;ethenethiol (PubChem CID 158183223) has the molecular formula C4H8O2S and a molecular weight of 120.17 g/mol. Its IUPAC name is acetic acid;ethenethiol.

Molecular Properties

Compound Nameacetic acid;ethenethiol
PubChem CID158183223
Molecular FormulaC4H8O2S
Molecular Weight120.17 g/mol
Exact Mass120.02
IUPAC Nameacetic acid;ethenethiol
SMILESC=CS.CC(=O)O
InChIInChI=1S/C2H4O2.C2H4S/c1-2(3)4;1-2-3/h1H3,(H,3,4);2-3H,1H2
InChIKeyFYVQWTGCQZZGIT-UHFFFAOYSA-N
XLogP1.15
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;ethenethiol;methane
CID 175227700
acetic acid;carbonic acid;prop-1-ene
CID 87718804
acetic acid;2-methylbuta-1,3-diene
CID 162329319
acetic acid;chloroethene;ethene
CID 88762301
acetic acid;ethene
CID 172797220
acetic acid
CID 158444727
acetic acid;ethenyl(trimethyl)silane
CID 172748830
tetrasodium;acetic acid;ethenamine;hydride
CID 173162243
acetic acid;but-1-ene
CID 88520349
acetic acid;ethenyl(hydroxy)silane
CID 71332548
acetic acid;2-methylprop-1-ene
CID 139328555
acetic acid;formaldehyde;hydrate
CID 19350045

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethenethiol?
The IUPAC name of acetic acid;ethenethiol (CID 158183223) is acetic acid;ethenethiol.
What is the SMILES notation for acetic acid;ethenethiol?
The canonical SMILES for acetic acid;ethenethiol is C=CS.CC(=O)O.
What is the InChIKey of acetic acid;ethenethiol?
The InChIKey is FYVQWTGCQZZGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.C2H4S/c1-2(3)4;1-2-3/h1H3,(H,3,4);2-3H,1H2.
What are the key properties of acetic acid;ethenethiol?
acetic acid;ethenethiol has a molecular weight of 120.17 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethenethiol is sourced from PubChem (CID 158183223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).