(Z)-2-hydroxy-3-sulfanylprop-2-enoic acid

C3H4O3S — CID 55299764

IUPAC(Z)-2-hydroxy-3-sulfanylprop-2-enoic acid
SMILESO=C(O)/C(O)=C/S
InChIInChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h1,4,7H,(H,5,6)/b2-1-
InChIKeyFKTODIWIJOOPQD-UPHRSURJSA-N
MW120.13 g/mol
LogP0.40
Rot. Bonds1

About (Z)-2-hydroxy-3-sulfanylprop-2-enoic acid

(Z)-2-hydroxy-3-sulfanylprop-2-enoic acid (PubChem CID 55299764) has the molecular formula C3H4O3S and a molecular weight of 120.13 g/mol. Its IUPAC name is (Z)-2-hydroxy-3-sulfanylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-hydroxy-3-sulfanylprop-2-enoic acid
PubChem CID55299764
Molecular FormulaC3H4O3S
Molecular Weight120.13 g/mol
Exact Mass119.99
IUPAC Name(Z)-2-hydroxy-3-sulfanylprop-2-enoic acid
SMILESO=C(O)/C(O)=C/S
InChIInChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h1,4,7H,(H,5,6)/b2-1-
InChIKeyFKTODIWIJOOPQD-UPHRSURJSA-N
XLogP0.40
TPSA57.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.13
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

europium;oxalic acid
CID 90472147
carbonic acid;ethenethiol;methane
CID 175227700
2-hydroxypent-2-enoic acid
CID 20977155
(E)-2-hydroxy-4-methylidenepent-2-enedioic acid
CID 45479635
methanethiol;prop-2-enoic acid
CID 158379466
3-sulfanylprop-2-enoic acid
CID 71358225
acetic acid;ethenethiol
CID 158183223
oxalic acid;trihydrochloride
CID 140553783
carbonothioic O,S-acid
CID 173160462
oxalic acid;hydrochloride
CID 173369286
carbonic acid;europium;gadolinium
CID 174896810
magnesium oxalic acid
CID 54611841

Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-3-sulfanylprop-2-enoic acid?
The IUPAC name of (Z)-2-hydroxy-3-sulfanylprop-2-enoic acid (CID 55299764) is (Z)-2-hydroxy-3-sulfanylprop-2-enoic acid.
What is the SMILES notation for (Z)-2-hydroxy-3-sulfanylprop-2-enoic acid?
The canonical SMILES for (Z)-2-hydroxy-3-sulfanylprop-2-enoic acid is O=C(O)/C(O)=C/S.
What is the InChIKey of (Z)-2-hydroxy-3-sulfanylprop-2-enoic acid?
The InChIKey is FKTODIWIJOOPQD-UPHRSURJSA-N. The full InChI is InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h1,4,7H,(H,5,6)/b2-1-.
What are the key properties of (Z)-2-hydroxy-3-sulfanylprop-2-enoic acid?
(Z)-2-hydroxy-3-sulfanylprop-2-enoic acid has a molecular weight of 120.13 g/mol, XLogP of 0.40, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-3-sulfanylprop-2-enoic acid is sourced from PubChem (CID 55299764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).