2-methyl-2-sulfanylpropan-1-ol

C4H10OS — CID 12517151

IUPAC2-methyl-2-sulfanylpropan-1-ol
SMILESCC(C)(S)CO
InChIInChI=1S/C4H10OS/c1-4(2,6)3-5/h5-6H,3H2,1-2H3
InChIKeyDNROCZZBRJKCNN-UHFFFAOYSA-N
MW106.19 g/mol
LogP0.69
Rot. Bonds1

About 2-methyl-2-sulfanylpropan-1-ol

2-methyl-2-sulfanylpropan-1-ol (PubChem CID 12517151) has the molecular formula C4H10OS and a molecular weight of 106.19 g/mol. Its IUPAC name is 2-methyl-2-sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-2-sulfanylpropan-1-ol
PubChem CID12517151
Molecular FormulaC4H10OS
Molecular Weight106.19 g/mol
Exact Mass106.05
IUPAC Name2-methyl-2-sulfanylpropan-1-ol
SMILESCC(C)(S)CO
InChIInChI=1S/C4H10OS/c1-4(2,6)3-5/h5-6H,3H2,1-2H3
InChIKeyDNROCZZBRJKCNN-UHFFFAOYSA-N
XLogP0.69
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.19
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-Mercapto-3-methyl-1-butanol
CID 520682
2-Methyl-3-sulfanylpropan-1-ol
CID 529079
2,2-Dimethyl-3-sulfanylpropan-1-ol
CID 331837
2-Ethyl-2-sulfanylbutan-1-ol
CID 57395627
(2S)-2-methyl-3-sulfanyl-propan-1-ol
CID 59148462
2-Dimercaptopropanol
CID 21701549
(r)-3-Mercapto-2-methylpropanol
CID 59148463
3-Mercapto-3-methylbutan-1-ol-d6
CID 131668435
2-Methyl-1-sulfanylpropan-1-ol
CID 4713213
2-Methyl-2-sulfanylbutan-1-ol
CID 11839185
3-Methyl-3-sulfanylbutan-2-ol
CID 14950172
2-(Hydroxymethyl)-2-sulfanylpropane-1,3-diol
CID 21479512

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-sulfanylpropan-1-ol?
The IUPAC name of 2-methyl-2-sulfanylpropan-1-ol (CID 12517151) is 2-methyl-2-sulfanylpropan-1-ol.
What is the SMILES notation for 2-methyl-2-sulfanylpropan-1-ol?
The canonical SMILES for 2-methyl-2-sulfanylpropan-1-ol is CC(C)(S)CO.
What is the InChIKey of 2-methyl-2-sulfanylpropan-1-ol?
The InChIKey is DNROCZZBRJKCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10OS/c1-4(2,6)3-5/h5-6H,3H2,1-2H3.
What are the key properties of 2-methyl-2-sulfanylpropan-1-ol?
2-methyl-2-sulfanylpropan-1-ol has a molecular weight of 106.19 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-sulfanylpropan-1-ol is sourced from PubChem (CID 12517151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).