3-(2-methylprop-2-enylsulfanyl)butan-2-ol

C8H16OS — CID 103705548

IUPAC3-(2-methylprop-2-enylsulfanyl)butan-2-ol
SMILESC=C(C)CSC(C)C(C)O
InChIInChI=1S/C8H16OS/c1-6(2)5-10-8(4)7(3)9/h7-9H,1,5H2,2-4H3
InChIKeyKYVNSZVFQYNAGY-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.07
Rot. Bonds4

About 3-(2-methylprop-2-enylsulfanyl)butan-2-ol

3-(2-methylprop-2-enylsulfanyl)butan-2-ol (PubChem CID 103705548) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 3-(2-methylprop-2-enylsulfanyl)butan-2-ol.

Molecular Properties

Compound Name3-(2-methylprop-2-enylsulfanyl)butan-2-ol
PubChem CID103705548
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name3-(2-methylprop-2-enylsulfanyl)butan-2-ol
SMILESC=C(C)CSC(C)C(C)O
InChIInChI=1S/C8H16OS/c1-6(2)5-10-8(4)7(3)9/h7-9H,1,5H2,2-4H3
InChIKeyKYVNSZVFQYNAGY-UHFFFAOYSA-N
XLogP2.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.07
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

2-(3-hydroxybutan-2-ylsulfanyl)-N-methylacetamide
CID 103705550
N,N-diethyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 103706039
1-cyclopropyl-2-(3-hydroxybutan-2-ylsulfanyl)ethanone
CID 107771448
(Z)-3,4-dimethyl-5-(2-methylprop-2-enylsulfanyl)hex-3-en-2-one
CID 143453852
3-[(2R)-2-aminopropyl]sulfanylbutan-2-ol
CID 107772376
(2R,3S)-3-(2-chloroethylsulfanyl)butan-2-ol
CID 55300966
N-carbamoyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 103705800
2-(3-hydroxybutan-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 103895763
2-methylprop-2-enyl 2-methylpropanedithioate
CID 10241293
3-(4-hydroxybutylsulfanyl)butan-2-ol
CID 107771373
2-(3-hydroxybutan-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103706056
2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-methylbutan-2-yl)acetamide
CID 103705755

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enylsulfanyl)butan-2-ol?
The IUPAC name of 3-(2-methylprop-2-enylsulfanyl)butan-2-ol (CID 103705548) is 3-(2-methylprop-2-enylsulfanyl)butan-2-ol.
What is the SMILES notation for 3-(2-methylprop-2-enylsulfanyl)butan-2-ol?
The canonical SMILES for 3-(2-methylprop-2-enylsulfanyl)butan-2-ol is C=C(C)CSC(C)C(C)O.
What is the InChIKey of 3-(2-methylprop-2-enylsulfanyl)butan-2-ol?
The InChIKey is KYVNSZVFQYNAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-6(2)5-10-8(4)7(3)9/h7-9H,1,5H2,2-4H3.
What are the key properties of 3-(2-methylprop-2-enylsulfanyl)butan-2-ol?
3-(2-methylprop-2-enylsulfanyl)butan-2-ol has a molecular weight of 160.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enylsulfanyl)butan-2-ol is sourced from PubChem (CID 103705548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).