3-methyl-2-methylsulfanylbutan-1-ol

C6H14OS — CID 117035456

IUPAC3-methyl-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)C
InChIInChI=1S/C6H14OS/c1-5(2)6(4-7)8-3/h5-7H,4H2,1-3H3
InChIKeyIHVBKANROVHTKQ-UHFFFAOYSA-N
MW134.24 g/mol
LogP1.37
Rot. Bonds3

About 3-methyl-2-methylsulfanylbutan-1-ol

3-methyl-2-methylsulfanylbutan-1-ol (PubChem CID 117035456) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is 3-methyl-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-methyl-2-methylsulfanylbutan-1-ol
PubChem CID117035456
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name3-methyl-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)C
InChIInChI=1S/C6H14OS/c1-5(2)6(4-7)8-3/h5-7H,4H2,1-3H3
InChIKeyIHVBKANROVHTKQ-UHFFFAOYSA-N
XLogP1.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-(2,6-dimethylheptan-4-ylamino)-2-methylsulfanylbutan-1-ol
CID 103785156
3-[[(2S)-2-hydroxypropyl]amino]-2-methylsulfanylbutan-1-ol
CID 106160798
2-methylsulfanyl-3-(1,2,4-triazol-4-yl)butan-1-ol
CID 106159479
3-(5-methylheptan-3-ylamino)-2-methylsulfanylbutan-1-ol
CID 115722535
2-methylsulfanyl-3-(undecan-6-ylamino)butan-1-ol
CID 106159193
3-(4-hydroxybutylamino)-2-methylsulfanylbutan-1-ol
CID 106160735
3-(2,5-dimethylpyrrol-1-yl)-2-methylsulfanylbutan-1-ol
CID 106159415
azane;tris(2-methylpropan-1-ol)
CID 175819145
3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpentanamide
CID 106161596
3-amino-4-methoxy-2-methylsulfanylbutan-1-ol
CID 114370505
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide
CID 103798799
1-(diaminomethylidene)-2-(4-hydroxy-3-methylsulfanylbutan-2-yl)guanidine
CID 106162023

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-methyl-2-methylsulfanylbutan-1-ol (CID 117035456) is 3-methyl-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-methyl-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-methyl-2-methylsulfanylbutan-1-ol is CSC(CO)C(C)C.
What is the InChIKey of 3-methyl-2-methylsulfanylbutan-1-ol?
The InChIKey is IHVBKANROVHTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-5(2)6(4-7)8-3/h5-7H,4H2,1-3H3.
What are the key properties of 3-methyl-2-methylsulfanylbutan-1-ol?
3-methyl-2-methylsulfanylbutan-1-ol has a molecular weight of 134.24 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 117035456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).