3-methyl-4-methylsulfanylbutan-1-ol

C6H14OS — CID 90863484

IUPAC3-methyl-4-methylsulfanylbutan-1-ol
SMILESCSCC(C)CCO
InChIInChI=1S/C6H14OS/c1-6(3-4-7)5-8-2/h6-7H,3-5H2,1-2H3
InChIKeyROSSXHHUBGNMSO-UHFFFAOYSA-N
MW134.24 g/mol
LogP1.37
Rot. Bonds4

About 3-methyl-4-methylsulfanylbutan-1-ol

3-methyl-4-methylsulfanylbutan-1-ol (PubChem CID 90863484) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is 3-methyl-4-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-methyl-4-methylsulfanylbutan-1-ol
PubChem CID90863484
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name3-methyl-4-methylsulfanylbutan-1-ol
SMILESCSCC(C)CCO
InChIInChI=1S/C6H14OS/c1-6(3-4-7)5-8-2/h6-7H,3-5H2,1-2H3
InChIKeyROSSXHHUBGNMSO-UHFFFAOYSA-N
XLogP1.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Methylthio)-1-propanol
CID 10448
4-(Methylthio)butanol
CID 519793
3-Mercapto-2-methyl-1-butanol
CID 6430892
3-Methyl-2-sulfanylbutan-1-ol
CID 14249191
3-(Ethylthio)-1-butanol
CID 23039305
Gosspyl acetate
CID 22327742
3-(Methylthio)-1-butanol
CID 22934579
1-Butanol, 4-(ethylthio)-
CID 283797
2-Methyl-3-(methylsulfanyl)propan-1-ol
CID 12056375
Thiolan-3-ylmethanol
CID 20624486
2,2-Dimethyl-3-(methylsulfanyl)propan-1-ol
CID 58108003
3-Methyl-3-(methylsulfanyl)butan-1-ol
CID 14759792

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-methylsulfanylbutan-1-ol?
The IUPAC name of 3-methyl-4-methylsulfanylbutan-1-ol (CID 90863484) is 3-methyl-4-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-methyl-4-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-methyl-4-methylsulfanylbutan-1-ol is CSCC(C)CCO.
What is the InChIKey of 3-methyl-4-methylsulfanylbutan-1-ol?
The InChIKey is ROSSXHHUBGNMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-6(3-4-7)5-8-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-methyl-4-methylsulfanylbutan-1-ol?
3-methyl-4-methylsulfanylbutan-1-ol has a molecular weight of 134.24 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-methylsulfanylbutan-1-ol is sourced from PubChem (CID 90863484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).