2-hydroxyacetic acid;prop-2-ene-1-thiol

C5H10O3S — CID 88789188

IUPAC2-hydroxyacetic acid;prop-2-ene-1-thiol
SMILESC=CCS.O=C(O)CO
InChIInChI=1S/C3H6S.C2H4O3/c1-2-3-4;3-1-2(4)5/h2,4H,1,3H2;3H,1H2,(H,4,5)
InChIKeyZRESGQASHSPXFV-UHFFFAOYSA-N
MW150.20 g/mol
LogP0.17
Rot. Bonds2

About 2-hydroxyacetic acid;prop-2-ene-1-thiol

2-hydroxyacetic acid;prop-2-ene-1-thiol (PubChem CID 88789188) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 2-hydroxyacetic acid;prop-2-ene-1-thiol.

Molecular Properties

Compound Name2-hydroxyacetic acid;prop-2-ene-1-thiol
PubChem CID88789188
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name2-hydroxyacetic acid;prop-2-ene-1-thiol
SMILESC=CCS.O=C(O)CO
InChIInChI=1S/C3H6S.C2H4O3/c1-2-3-4;3-1-2(4)5/h2,4H,1,3H2;3H,1H2,(H,4,5)
InChIKeyZRESGQASHSPXFV-UHFFFAOYSA-N
XLogP0.17
TPSA57.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butanedioic acid;prop-2-ene-1-thiol
CID 173017966
2-hydroxyacetic acid;tris(prop-1-ene)
CID 159374774
2-hydroxyacetic acid;prop-1-ene
CID 19035670
tetrakis(2-hydroxyacetic acid);silane
CID 173225780
platinum;prop-2-ene-1-thiol
CID 174777165
CID 88684247
CID 88684247
bis(2-hydroxyacetic acid);methane
CID 158039555
2-hydroxyacetic acid;2-hydroxy-2-prop-2-enylpent-4-enoic acid
CID 88654397
ethane-1,2-diol;prop-1-ene;bis(2-sulfanylacetic acid)
CID 174510482
heptakis(2-hydroxyacetic acid);yttrium;zirconium
CID 154733245
benzene;2-hydroxyacetic acid
CID 67764636
2-hydroxyacetic acid;silane;zirconium
CID 174940076

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetic acid;prop-2-ene-1-thiol?
The IUPAC name of 2-hydroxyacetic acid;prop-2-ene-1-thiol (CID 88789188) is 2-hydroxyacetic acid;prop-2-ene-1-thiol.
What is the SMILES notation for 2-hydroxyacetic acid;prop-2-ene-1-thiol?
The canonical SMILES for 2-hydroxyacetic acid;prop-2-ene-1-thiol is C=CCS.O=C(O)CO.
What is the InChIKey of 2-hydroxyacetic acid;prop-2-ene-1-thiol?
The InChIKey is ZRESGQASHSPXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6S.C2H4O3/c1-2-3-4;3-1-2(4)5/h2,4H,1,3H2;3H,1H2,(H,4,5).
What are the key properties of 2-hydroxyacetic acid;prop-2-ene-1-thiol?
2-hydroxyacetic acid;prop-2-ene-1-thiol has a molecular weight of 150.20 g/mol, XLogP of 0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetic acid;prop-2-ene-1-thiol is sourced from PubChem (CID 88789188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).