2-(2-methylpropylsulfanyl)prop-2-en-1-ol

C7H14OS — CID 13331384

IUPAC2-(2-methylpropylsulfanyl)prop-2-en-1-ol
SMILESC=C(CO)SCC(C)C
InChIInChI=1S/C7H14OS/c1-6(2)5-9-7(3)4-8/h6,8H,3-5H2,1-2H3
InChIKeyYQNPBHLDLUQDGY-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.88
Rot. Bonds4

About 2-(2-methylpropylsulfanyl)prop-2-en-1-ol

2-(2-methylpropylsulfanyl)prop-2-en-1-ol (PubChem CID 13331384) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 2-(2-methylpropylsulfanyl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(2-methylpropylsulfanyl)prop-2-en-1-ol
PubChem CID13331384
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name2-(2-methylpropylsulfanyl)prop-2-en-1-ol
SMILESC=C(CO)SCC(C)C
InChIInChI=1S/C7H14OS/c1-6(2)5-9-7(3)4-8/h6,8H,3-5H2,1-2H3
InChIKeyYQNPBHLDLUQDGY-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-methylprop-2-enylsulfanyl)propan-1-ol
CID 10866481
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-Ethylsulfanylprop-2-en-1-ol
CID 13331381
2-Butan-2-ylsulfanylprop-2-en-1-ol
CID 13331385
2-Pentylsulfanylprop-2-en-1-ol
CID 13331386
(Z)-3-propylsulfanylprop-2-en-1-ol
CID 13331394
(Z)-3-butan-2-ylsulfanylprop-2-en-1-ol
CID 13331400
(Z)-3-butylsulfanylprop-2-en-1-ol
CID 15575902
(Z)-3-tert-butylsulfanylprop-2-en-1-ol
CID 15575904
2-Butylsulfanylprop-2-en-1-ol
CID 15575918

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfanyl)prop-2-en-1-ol?
The IUPAC name of 2-(2-methylpropylsulfanyl)prop-2-en-1-ol (CID 13331384) is 2-(2-methylpropylsulfanyl)prop-2-en-1-ol.
What is the SMILES notation for 2-(2-methylpropylsulfanyl)prop-2-en-1-ol?
The canonical SMILES for 2-(2-methylpropylsulfanyl)prop-2-en-1-ol is C=C(CO)SCC(C)C.
What is the InChIKey of 2-(2-methylpropylsulfanyl)prop-2-en-1-ol?
The InChIKey is YQNPBHLDLUQDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-6(2)5-9-7(3)4-8/h6,8H,3-5H2,1-2H3.
What are the key properties of 2-(2-methylpropylsulfanyl)prop-2-en-1-ol?
2-(2-methylpropylsulfanyl)prop-2-en-1-ol has a molecular weight of 146.25 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfanyl)prop-2-en-1-ol is sourced from PubChem (CID 13331384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).