(Z)-3-butan-2-ylsulfanylprop-2-en-1-ol

C7H14OS — CID 13331400

IUPAC(Z)-3-butan-2-ylsulfanylprop-2-en-1-ol
SMILESCCC(C)S/C=C\CO
InChIInChI=1S/C7H14OS/c1-3-7(2)9-6-4-5-8/h4,6-8H,3,5H2,1-2H3/b6-4-
InChIKeyVXFSIWNZXOGHED-XQRVVYSFSA-N
MW146.25 g/mol
LogP2.02
Rot. Bonds4

About (Z)-3-butan-2-ylsulfanylprop-2-en-1-ol

(Z)-3-butan-2-ylsulfanylprop-2-en-1-ol (PubChem CID 13331400) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is (Z)-3-butan-2-ylsulfanylprop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-butan-2-ylsulfanylprop-2-en-1-ol
PubChem CID13331400
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name(Z)-3-butan-2-ylsulfanylprop-2-en-1-ol
SMILESCCC(C)S/C=C\CO
InChIInChI=1S/C7H14OS/c1-3-7(2)9-6-4-5-8/h4,6-8H,3,5H2,1-2H3/b6-4-
InChIKeyVXFSIWNZXOGHED-XQRVVYSFSA-N
XLogP2.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-[(S)-methylsulfinyl]prop-2-en-1-ol
CID 163010143
(2E)-(+)-3-(Methylsulfinyl)-2-propen-1-ol
CID 11344011
3-Methyl-4-(methylsulfanyl)but-2-en-1-ol
CID 155820369
2-[(Prop-2-en-1-yl)sulfanyl]ethan-1-ol
CID 12950001
(E)-3-methylsulfanylprop-2-en-1-ol
CID 13023534
2-(2-Buten-1-ylthio)ethanol
CID 3019037
2-(2-Butenylthio)ethanol
CID 6365819
3-(Allylthio)propanol
CID 6428899
1-Prop-2-enylsulfanylpropan-2-ol
CID 10103211
(Z)-3-methylsulfanylprop-2-en-1-ol
CID 13023535
2-Methylsulfanylprop-2-en-1-ol
CID 13331380
2-Propylsulfanylprop-2-en-1-ol
CID 13331382

Frequently Asked Questions

What is the IUPAC name of (Z)-3-butan-2-ylsulfanylprop-2-en-1-ol?
The IUPAC name of (Z)-3-butan-2-ylsulfanylprop-2-en-1-ol (CID 13331400) is (Z)-3-butan-2-ylsulfanylprop-2-en-1-ol.
What is the SMILES notation for (Z)-3-butan-2-ylsulfanylprop-2-en-1-ol?
The canonical SMILES for (Z)-3-butan-2-ylsulfanylprop-2-en-1-ol is CCC(C)S/C=C\CO.
What is the InChIKey of (Z)-3-butan-2-ylsulfanylprop-2-en-1-ol?
The InChIKey is VXFSIWNZXOGHED-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H14OS/c1-3-7(2)9-6-4-5-8/h4,6-8H,3,5H2,1-2H3/b6-4-.
What are the key properties of (Z)-3-butan-2-ylsulfanylprop-2-en-1-ol?
(Z)-3-butan-2-ylsulfanylprop-2-en-1-ol has a molecular weight of 146.25 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-butan-2-ylsulfanylprop-2-en-1-ol is sourced from PubChem (CID 13331400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).