(Z)-4-(thian-4-yl)but-2-en-1-ol

C9H16OS — CID 117265999

IUPAC(Z)-4-(thian-4-yl)but-2-en-1-ol
SMILESOC/C=C\CC1CCSCC1
InChIInChI=1S/C9H16OS/c10-6-2-1-3-9-4-7-11-8-5-9/h1-2,9-10H,3-8H2/b2-1-
InChIKeyVSSPXDOEUQJAQU-UPHRSURJSA-N
MW172.29 g/mol
LogP2.07
Rot. Bonds3

About (Z)-4-(thian-4-yl)but-2-en-1-ol

(Z)-4-(thian-4-yl)but-2-en-1-ol (PubChem CID 117265999) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is (Z)-4-(thian-4-yl)but-2-en-1-ol.

Molecular Properties

Compound Name(Z)-4-(thian-4-yl)but-2-en-1-ol
PubChem CID117265999
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name(Z)-4-(thian-4-yl)but-2-en-1-ol
SMILESOC/C=C\CC1CCSCC1
InChIInChI=1S/C9H16OS/c10-6-2-1-3-9-4-7-11-8-5-9/h1-2,9-10H,3-8H2/b2-1-
InChIKeyVSSPXDOEUQJAQU-UPHRSURJSA-N
XLogP2.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(thian-4-yl)but-2-en-1-ol?
The IUPAC name of (Z)-4-(thian-4-yl)but-2-en-1-ol (CID 117265999) is (Z)-4-(thian-4-yl)but-2-en-1-ol.
What is the SMILES notation for (Z)-4-(thian-4-yl)but-2-en-1-ol?
The canonical SMILES for (Z)-4-(thian-4-yl)but-2-en-1-ol is OC/C=C\CC1CCSCC1.
What is the InChIKey of (Z)-4-(thian-4-yl)but-2-en-1-ol?
The InChIKey is VSSPXDOEUQJAQU-UPHRSURJSA-N. The full InChI is InChI=1S/C9H16OS/c10-6-2-1-3-9-4-7-11-8-5-9/h1-2,9-10H,3-8H2/b2-1-.
What are the key properties of (Z)-4-(thian-4-yl)but-2-en-1-ol?
(Z)-4-(thian-4-yl)but-2-en-1-ol has a molecular weight of 172.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(thian-4-yl)but-2-en-1-ol is sourced from PubChem (CID 117265999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).