(Z)-3-butylsulfanylprop-2-en-1-ol

C7H14OS — CID 15575902

IUPAC(Z)-3-butylsulfanylprop-2-en-1-ol
SMILESCCCCS/C=C\CO
InChIInChI=1S/C7H14OS/c1-2-3-6-9-7-4-5-8/h4,7-8H,2-3,5-6H2,1H3/b7-4-
InChIKeyNBCUAVXBMUACNV-DAXSKMNVSA-N
MW146.25 g/mol
LogP2.03
Rot. Bonds5

About (Z)-3-butylsulfanylprop-2-en-1-ol

(Z)-3-butylsulfanylprop-2-en-1-ol (PubChem CID 15575902) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is (Z)-3-butylsulfanylprop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-butylsulfanylprop-2-en-1-ol
PubChem CID15575902
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name(Z)-3-butylsulfanylprop-2-en-1-ol
SMILESCCCCS/C=C\CO
InChIInChI=1S/C7H14OS/c1-2-3-6-9-7-4-5-8/h4,7-8H,2-3,5-6H2,1H3/b7-4-
InChIKeyNBCUAVXBMUACNV-DAXSKMNVSA-N
XLogP2.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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-butylsulfanylprop-2-en-1-ol?
The IUPAC name of (Z)-3-butylsulfanylprop-2-en-1-ol (CID 15575902) is (Z)-3-butylsulfanylprop-2-en-1-ol.
What is the SMILES notation for (Z)-3-butylsulfanylprop-2-en-1-ol?
The canonical SMILES for (Z)-3-butylsulfanylprop-2-en-1-ol is CCCCS/C=C\CO.
What is the InChIKey of (Z)-3-butylsulfanylprop-2-en-1-ol?
The InChIKey is NBCUAVXBMUACNV-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H14OS/c1-2-3-6-9-7-4-5-8/h4,7-8H,2-3,5-6H2,1H3/b7-4-.
What are the key properties of (Z)-3-butylsulfanylprop-2-en-1-ol?
(Z)-3-butylsulfanylprop-2-en-1-ol has a molecular weight of 146.25 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-butylsulfanylprop-2-en-1-ol is sourced from PubChem (CID 15575902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).