(1Z)-1-(thian-3-ylidene)propan-2-ol

C8H14OS — CID 103971040

IUPAC(1Z)-1-(thian-3-ylidene)propan-2-ol
SMILESCC(O)/C=C1/CCCSC1
InChIInChI=1S/C8H14OS/c1-7(9)5-8-3-2-4-10-6-8/h5,7,9H,2-4,6H2,1H3/b8-5-
InChIKeyUFKDFPDKBBUYJL-YVMONPNESA-N
MW158.27 g/mol
LogP1.82
Rot. Bonds1

About (1Z)-1-(thian-3-ylidene)propan-2-ol

(1Z)-1-(thian-3-ylidene)propan-2-ol (PubChem CID 103971040) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is (1Z)-1-(thian-3-ylidene)propan-2-ol.

Molecular Properties

Compound Name(1Z)-1-(thian-3-ylidene)propan-2-ol
PubChem CID103971040
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name(1Z)-1-(thian-3-ylidene)propan-2-ol
SMILESCC(O)/C=C1/CCCSC1
InChIInChI=1S/C8H14OS/c1-7(9)5-8-3-2-4-10-6-8/h5,7,9H,2-4,6H2,1H3/b8-5-
InChIKeyUFKDFPDKBBUYJL-YVMONPNESA-N
XLogP1.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.82
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

(E)-1-(1,3-dithian-2-yl)but-2-en-1-ol
CID 12595238
(E)-1-[2-(hydroxymethyl)-1,3-dithian-2-yl]-2-methylbut-2-en-1-ol
CID 11356765
(2E)-3,7-dimethyl-9-methylsulfanylnona-2,6-dien-1-ol
CID 162417045
(3Z)-3-ethylidenethian-4-ol
CID 68033469
2-(Thian-4-ylidene)ethanol
CID 68829369
2-Methyl-4,4-bis(prop-2-enylsulfanylmethyl)cyclohexa-2,5-dien-1-ol
CID 69728176
(2E,6E)-3,7-dimethyl-8-propylsulfanylocta-2,6-dien-1-ol
CID 88547643
(2E,6E,10E)-3,7,11-trimethyl-12-[2-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]-1,3-dithian-2-yl]dodeca-2,6,10-trien-1-ol
CID 118040264
Thiane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol
CID 118040323
(3-ethyl-4H-thiopyran-2-yl)methanol
CID 123493537
3,7-Dimethyl-8-propylsulfanylocta-2,6-dien-1-ol
CID 123680401
1-(3,4-dimethyl-4H-thiopyran-2-yl)ethanol
CID 123800446

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(thian-3-ylidene)propan-2-ol?
The IUPAC name of (1Z)-1-(thian-3-ylidene)propan-2-ol (CID 103971040) is (1Z)-1-(thian-3-ylidene)propan-2-ol.
What is the SMILES notation for (1Z)-1-(thian-3-ylidene)propan-2-ol?
The canonical SMILES for (1Z)-1-(thian-3-ylidene)propan-2-ol is CC(O)/C=C1/CCCSC1.
What is the InChIKey of (1Z)-1-(thian-3-ylidene)propan-2-ol?
The InChIKey is UFKDFPDKBBUYJL-YVMONPNESA-N. The full InChI is InChI=1S/C8H14OS/c1-7(9)5-8-3-2-4-10-6-8/h5,7,9H,2-4,6H2,1H3/b8-5-.
What are the key properties of (1Z)-1-(thian-3-ylidene)propan-2-ol?
(1Z)-1-(thian-3-ylidene)propan-2-ol has a molecular weight of 158.27 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(thian-3-ylidene)propan-2-ol is sourced from PubChem (CID 103971040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).