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

C7H14OS — CID 15575904

IUPAC(Z)-3-tert-butylsulfanylprop-2-en-1-ol
SMILESCC(C)(C)S/C=C\CO
InChIInChI=1S/C7H14OS/c1-7(2,3)9-6-4-5-8/h4,6,8H,5H2,1-3H3/b6-4-
InChIKeyVZVJTTKQWKCXCG-XQRVVYSFSA-N
MW146.25 g/mol
LogP2.02
Rot. Bonds2

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

(Z)-3-tert-butylsulfanylprop-2-en-1-ol (PubChem CID 15575904) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is (Z)-3-tert-butylsulfanylprop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-tert-butylsulfanylprop-2-en-1-ol
PubChem CID15575904
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name(Z)-3-tert-butylsulfanylprop-2-en-1-ol
SMILESCC(C)(C)S/C=C\CO
InChIInChI=1S/C7H14OS/c1-7(2,3)9-6-4-5-8/h4,6,8H,5H2,1-3H3/b6-4-
InChIKeyVZVJTTKQWKCXCG-XQRVVYSFSA-N
XLogP2.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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
(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
(Z)-2,3-bis(methylsulfanyl)prop-2-en-1-ol
CID 12170649
2-Propen-1-ol, 3-(2-propenylthio)
CID 5352856

Frequently Asked Questions

What is the IUPAC name of (Z)-3-tert-butylsulfanylprop-2-en-1-ol?
The IUPAC name of (Z)-3-tert-butylsulfanylprop-2-en-1-ol (CID 15575904) is (Z)-3-tert-butylsulfanylprop-2-en-1-ol.
What is the SMILES notation for (Z)-3-tert-butylsulfanylprop-2-en-1-ol?
The canonical SMILES for (Z)-3-tert-butylsulfanylprop-2-en-1-ol is CC(C)(C)S/C=C\CO.
What is the InChIKey of (Z)-3-tert-butylsulfanylprop-2-en-1-ol?
The InChIKey is VZVJTTKQWKCXCG-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H14OS/c1-7(2,3)9-6-4-5-8/h4,6,8H,5H2,1-3H3/b6-4-.
What are the key properties of (Z)-3-tert-butylsulfanylprop-2-en-1-ol?
(Z)-3-tert-butylsulfanylprop-2-en-1-ol has a molecular weight of 146.25 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-tert-butylsulfanylprop-2-en-1-ol is sourced from PubChem (CID 15575904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).