(2R)-2-tert-butylsulfanylpropan-1-ol

C7H16OS — CID 54434626

IUPAC(2R)-2-tert-butylsulfanylpropan-1-ol
SMILESC[C@H](CO)SC(C)(C)C
InChIInChI=1S/C7H16OS/c1-6(5-8)9-7(2,3)4/h6,8H,5H2,1-4H3/t6-/m1/s1
InChIKeyWJWIMBKAPBANOZ-ZCFIWIBFSA-N
MW148.27 g/mol
LogP1.90
Rot. Bonds2

About (2R)-2-tert-butylsulfanylpropan-1-ol

(2R)-2-tert-butylsulfanylpropan-1-ol (PubChem CID 54434626) has the molecular formula C7H16OS and a molecular weight of 148.27 g/mol. Its IUPAC name is (2R)-2-tert-butylsulfanylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-tert-butylsulfanylpropan-1-ol
PubChem CID54434626
Molecular FormulaC7H16OS
Molecular Weight148.27 g/mol
Exact Mass148.09
IUPAC Name(2R)-2-tert-butylsulfanylpropan-1-ol
SMILESC[C@H](CO)SC(C)(C)C
InChIInChI=1S/C7H16OS/c1-6(5-8)9-7(2,3)4/h6,8H,5H2,1-4H3/t6-/m1/s1
InChIKeyWJWIMBKAPBANOZ-ZCFIWIBFSA-N
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-tert-butylsulfanylpropan-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

3-tert-butylsulfanylbutanal
CID 175493057
2,2-dimethylpropane;2-methylpropan-1-ol
CID 158369394
2-(1-hydroxy-2-propan-2-ylsulfanylpropan-2-yl)sulfanyl-2-propan-2-ylsulfanylpropan-1-ol
CID 54198001
2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol
CID 158433518
2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]propan-1-ol
CID 112695464
2-(3-chloropropylsulfanyl)propan-1-ol
CID 24889413
3-bromo-4-tert-butylsulfanyl-2-methylpent-2-ene
CID 71327604
6-(1-hydroxypropan-2-ylsulfanyl)-2,2-dimethylhexanenitrile
CID 106712669
2-methylpropan-1-ol;zinc
CID 151745482
CID 131872176
CID 131872176
propane-1,2-diol
CID 23506506
2-methylpropan-1-ol;zirconium(3+)
CID 150803706

Frequently Asked Questions

What is the IUPAC name of (2R)-2-tert-butylsulfanylpropan-1-ol?
The IUPAC name of (2R)-2-tert-butylsulfanylpropan-1-ol (CID 54434626) is (2R)-2-tert-butylsulfanylpropan-1-ol.
What is the SMILES notation for (2R)-2-tert-butylsulfanylpropan-1-ol?
The canonical SMILES for (2R)-2-tert-butylsulfanylpropan-1-ol is C[C@H](CO)SC(C)(C)C.
What is the InChIKey of (2R)-2-tert-butylsulfanylpropan-1-ol?
The InChIKey is WJWIMBKAPBANOZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H16OS/c1-6(5-8)9-7(2,3)4/h6,8H,5H2,1-4H3/t6-/m1/s1.
What are the key properties of (2R)-2-tert-butylsulfanylpropan-1-ol?
(2R)-2-tert-butylsulfanylpropan-1-ol has a molecular weight of 148.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tert-butylsulfanylpropan-1-ol is sourced from PubChem (CID 54434626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).