(3Z)-3-(sulfanylmethylidene)pent-4-en-1-ol

C6H10OS — CID 89366181

IUPAC(3Z)-3-(sulfanylmethylidene)pent-4-en-1-ol
SMILESC=C/C(=C\S)CCO
InChIInChI=1S/C6H10OS/c1-2-6(5-8)3-4-7/h2,5,7-8H,1,3-4H2/b6-5+
InChIKeyREXJGDXCKFVILB-AATRIKPKSA-N
MW130.21 g/mol
LogP1.37
Rot. Bonds3

About (3Z)-3-(sulfanylmethylidene)pent-4-en-1-ol

(3Z)-3-(sulfanylmethylidene)pent-4-en-1-ol (PubChem CID 89366181) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is (3Z)-3-(sulfanylmethylidene)pent-4-en-1-ol.

Molecular Properties

Compound Name(3Z)-3-(sulfanylmethylidene)pent-4-en-1-ol
PubChem CID89366181
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name(3Z)-3-(sulfanylmethylidene)pent-4-en-1-ol
SMILESC=C/C(=C\S)CCO
InChIInChI=1S/C6H10OS/c1-2-6(5-8)3-4-7/h2,5,7-8H,1,3-4H2/b6-5+
InChIKeyREXJGDXCKFVILB-AATRIKPKSA-N
XLogP1.37
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(sulfanylmethylidene)pent-4-en-1-ol?
The IUPAC name of (3Z)-3-(sulfanylmethylidene)pent-4-en-1-ol (CID 89366181) is (3Z)-3-(sulfanylmethylidene)pent-4-en-1-ol.
What is the SMILES notation for (3Z)-3-(sulfanylmethylidene)pent-4-en-1-ol?
The canonical SMILES for (3Z)-3-(sulfanylmethylidene)pent-4-en-1-ol is C=C/C(=C\S)CCO.
What is the InChIKey of (3Z)-3-(sulfanylmethylidene)pent-4-en-1-ol?
The InChIKey is REXJGDXCKFVILB-AATRIKPKSA-N. The full InChI is InChI=1S/C6H10OS/c1-2-6(5-8)3-4-7/h2,5,7-8H,1,3-4H2/b6-5+.
What are the key properties of (3Z)-3-(sulfanylmethylidene)pent-4-en-1-ol?
(3Z)-3-(sulfanylmethylidene)pent-4-en-1-ol has a molecular weight of 130.21 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(sulfanylmethylidene)pent-4-en-1-ol is sourced from PubChem (CID 89366181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).