(Z)-4-(thian-4-yl)but-3-en-1-ol

C9H16OS — CID 117267363

IUPAC(Z)-4-(thian-4-yl)but-3-en-1-ol
SMILESOCC/C=C\C1CCSCC1
InChIInChI=1S/C9H16OS/c10-6-2-1-3-9-4-7-11-8-5-9/h1,3,9-10H,2,4-8H2/b3-1-
InChIKeyBSECTSNLJVDATI-IWQZZHSRSA-N
MW172.29 g/mol
LogP2.07
Rot. Bonds3

About (Z)-4-(thian-4-yl)but-3-en-1-ol

(Z)-4-(thian-4-yl)but-3-en-1-ol (PubChem CID 117267363) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is (Z)-4-(thian-4-yl)but-3-en-1-ol.

Molecular Properties

Compound Name(Z)-4-(thian-4-yl)but-3-en-1-ol
PubChem CID117267363
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name(Z)-4-(thian-4-yl)but-3-en-1-ol
SMILESOCC/C=C\C1CCSCC1
InChIInChI=1S/C9H16OS/c10-6-2-1-3-9-4-7-11-8-5-9/h1,3,9-10H,2,4-8H2/b3-1-
InChIKeyBSECTSNLJVDATI-IWQZZHSRSA-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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Related Compounds

2-[(E)-3-methylnon-6-enyl]sulfanylethanol
CID 59324361
2-(3-Methylnon-6-enylsulfanyl)ethanol
CID 72255942
3,6-dihydro-2H-thiopyran-3-ylmethanol
CID 102082775
3-Cyclohex-2-en-1-ylsulfanylpropan-1-ol
CID 114620525
(E)-3-(thian-4-yl)prop-2-en-1-ol
CID 115012418
3-Cyclohex-2-en-1-ylsulfanyl-2-methylpropan-1-ol
CID 115669205
(Z)-4-(thian-4-yl)but-2-en-1-ol
CID 117265999
(Z)-4-(thian-3-yl)but-2-en-1-ol
CID 117266032
(Z)-4-(thiolan-3-yl)but-3-en-1-ol
CID 117267314
(Z)-4-(1,1-dioxothian-4-yl)but-3-en-1-ol
CID 117267362
(Z)-5-(thiolan-3-yl)pent-3-en-1-ol
CID 117267417
(Z)-5-(1,1-dioxothian-4-yl)pent-3-en-1-ol
CID 117267470

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(thian-4-yl)but-3-en-1-ol?
The IUPAC name of (Z)-4-(thian-4-yl)but-3-en-1-ol (CID 117267363) is (Z)-4-(thian-4-yl)but-3-en-1-ol.
What is the SMILES notation for (Z)-4-(thian-4-yl)but-3-en-1-ol?
The canonical SMILES for (Z)-4-(thian-4-yl)but-3-en-1-ol is OCC/C=C\C1CCSCC1.
What is the InChIKey of (Z)-4-(thian-4-yl)but-3-en-1-ol?
The InChIKey is BSECTSNLJVDATI-IWQZZHSRSA-N. The full InChI is InChI=1S/C9H16OS/c10-6-2-1-3-9-4-7-11-8-5-9/h1,3,9-10H,2,4-8H2/b3-1-.
What are the key properties of (Z)-4-(thian-4-yl)but-3-en-1-ol?
(Z)-4-(thian-4-yl)but-3-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-3-en-1-ol is sourced from PubChem (CID 117267363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).