3-sulfanylprop-1-en-2-ol

C3H6OS — CID 88524580

IUPAC3-sulfanylprop-1-en-2-ol
SMILESC=C(O)CS
InChIInChI=1S/C3H6OS/c1-3(4)2-5/h4-5H,1-2H2
InChIKeyVFXQGVVQOZCJLI-UHFFFAOYSA-N
MW90.15 g/mol
LogP0.99
Rot. Bonds1

About 3-sulfanylprop-1-en-2-ol

3-sulfanylprop-1-en-2-ol (PubChem CID 88524580) has the molecular formula C3H6OS and a molecular weight of 90.15 g/mol. Its IUPAC name is 3-sulfanylprop-1-en-2-ol.

Molecular Properties

Compound Name3-sulfanylprop-1-en-2-ol
PubChem CID88524580
Molecular FormulaC3H6OS
Molecular Weight90.15 g/mol
Exact Mass90.01
IUPAC Name3-sulfanylprop-1-en-2-ol
SMILESC=C(O)CS
InChIInChI=1S/C3H6OS/c1-3(4)2-5/h4-5H,1-2H2
InChIKeyVFXQGVVQOZCJLI-UHFFFAOYSA-N
XLogP0.99
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.15
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

prop-2-ene-1,2-dithiol
CID 88758068
propane;2-(sulfanylmethyl)prop-2-enoic acid
CID 88805999
cobalt;2-sulfanylacetic acid
CID 88801503
CID 57473469
CID 57473469
manganese;2-sulfanylacetic acid
CID 175094975
2-sulfanylacetic acid;hydrochloride
CID 87316601
3,3-dimethyl-2-methylidenebutane-1-thiol
CID 139438130
(2S)-1-sulfanyl-3-(sulfanylmethyl)but-3-en-2-ol
CID 89359822
strontium;hydride;2-sulfanylacetic acid
CID 173001383
ethane-1,2-dithiol;bis(2-sulfanylacetic acid)
CID 19352306
3-bromoprop-1-en-2-ol
CID 12610769
3-phosphanylprop-1-en-2-ol
CID 173235638

Frequently Asked Questions

What is the IUPAC name of 3-sulfanylprop-1-en-2-ol?
The IUPAC name of 3-sulfanylprop-1-en-2-ol (CID 88524580) is 3-sulfanylprop-1-en-2-ol.
What is the SMILES notation for 3-sulfanylprop-1-en-2-ol?
The canonical SMILES for 3-sulfanylprop-1-en-2-ol is C=C(O)CS.
What is the InChIKey of 3-sulfanylprop-1-en-2-ol?
The InChIKey is VFXQGVVQOZCJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6OS/c1-3(4)2-5/h4-5H,1-2H2.
What are the key properties of 3-sulfanylprop-1-en-2-ol?
3-sulfanylprop-1-en-2-ol has a molecular weight of 90.15 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanylprop-1-en-2-ol is sourced from PubChem (CID 88524580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).