3-methyl-2-propan-2-ylsulfanylbutan-1-ol

C8H18OS — CID 117035458

IUPAC3-methyl-2-propan-2-ylsulfanylbutan-1-ol
SMILESCC(C)SC(CO)C(C)C
InChIInChI=1S/C8H18OS/c1-6(2)8(5-9)10-7(3)4/h6-9H,5H2,1-4H3
InChIKeyGIYIIIOXUSVUOI-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.14
Rot. Bonds4

About 3-methyl-2-propan-2-ylsulfanylbutan-1-ol

3-methyl-2-propan-2-ylsulfanylbutan-1-ol (PubChem CID 117035458) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is 3-methyl-2-propan-2-ylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-methyl-2-propan-2-ylsulfanylbutan-1-ol
PubChem CID117035458
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name3-methyl-2-propan-2-ylsulfanylbutan-1-ol
SMILESCC(C)SC(CO)C(C)C
InChIInChI=1S/C8H18OS/c1-6(2)8(5-9)10-7(3)4/h6-9H,5H2,1-4H3
InChIKeyGIYIIIOXUSVUOI-UHFFFAOYSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2-propan-2-ylsulfanylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Thiolan-3-ylmethanol
CID 20624486
3-(Tert-butylsulfanyl)propan-1-ol
CID 12300962
Hydroxy-butyl sulfide
CID 14717696
2,2'-((2-Methylbutane-1,4-diyl)bis(thio))bisethanol
CID 44148449
4-(Butylsulfanyl)butan-1-ol
CID 220051
4-(Tert-butylsulfanyl)butan-1-ol
CID 253476
1-Tert-butylsulfanylbutan-2-ol
CID 546549
2-Pentanol, 1-t-butylthio-
CID 546590
2-(2-Methyl-1,3-dithian-2-yl)propan-1-ol
CID 13497632
(2S)-3,4-dimethylthiolan-2-ol
CID 123988402
3,7-Dimethyl-5-thianonan-2,8-diol
CID 129773569
(3S)-3-(1,3-dithian-2-yl)butan-1-ol
CID 641992

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-ylsulfanylbutan-1-ol?
The IUPAC name of 3-methyl-2-propan-2-ylsulfanylbutan-1-ol (CID 117035458) is 3-methyl-2-propan-2-ylsulfanylbutan-1-ol.
What is the SMILES notation for 3-methyl-2-propan-2-ylsulfanylbutan-1-ol?
The canonical SMILES for 3-methyl-2-propan-2-ylsulfanylbutan-1-ol is CC(C)SC(CO)C(C)C.
What is the InChIKey of 3-methyl-2-propan-2-ylsulfanylbutan-1-ol?
The InChIKey is GIYIIIOXUSVUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS/c1-6(2)8(5-9)10-7(3)4/h6-9H,5H2,1-4H3.
What are the key properties of 3-methyl-2-propan-2-ylsulfanylbutan-1-ol?
3-methyl-2-propan-2-ylsulfanylbutan-1-ol has a molecular weight of 162.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-ylsulfanylbutan-1-ol is sourced from PubChem (CID 117035458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).