2-methylpropane-1-thiol;2-methylpropane-2-thiol;sulfane

C8H22S3 — CID 174913828

IUPAC2-methylpropane-1-thiol;2-methylpropane-2-thiol;sulfane
SMILESCC(C)(C)S.CC(C)CS.S
InChIInChI=1S/2C4H10S.H2S/c1-4(2,3)5;1-4(2)3-5;/h5H,1-3H3;4-5H,3H2,1-2H3;1H2
InChIKeyUYEYGUSNOMSVJB-UHFFFAOYSA-N
MW214.46 g/mol
LogP3.40
Rot. Bonds1

About 2-methylpropane-1-thiol;2-methylpropane-2-thiol;sulfane

2-methylpropane-1-thiol;2-methylpropane-2-thiol;sulfane (PubChem CID 174913828) has the molecular formula C8H22S3 and a molecular weight of 214.46 g/mol. Its IUPAC name is 2-methylpropane-1-thiol;2-methylpropane-2-thiol;sulfane.

Molecular Properties

Compound Name2-methylpropane-1-thiol;2-methylpropane-2-thiol;sulfane
PubChem CID174913828
Molecular FormulaC8H22S3
Molecular Weight214.46 g/mol
Exact Mass214.09
IUPAC Name2-methylpropane-1-thiol;2-methylpropane-2-thiol;sulfane
SMILESCC(C)(C)S.CC(C)CS.S
InChIInChI=1S/2C4H10S.H2S/c1-4(2,3)5;1-4(2)3-5;/h5H,1-3H3;4-5H,3H2,1-2H3;1H2
InChIKeyUYEYGUSNOMSVJB-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methylpropane-1-thiol;2-methylpropane-2-thiol;sulfane 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

azane;2-methylpropane-2-thiol
CID 87874435
2-methylbutane-1,2,3-trithiol
CID 20568486
3,3-difluoro-2-methylbutane-1-thiol
CID 162577364
2,3-dimethyl-2-propan-2-ylbutane-1-thiol
CID 123246833
zinc;carbanide;2-methylpropane-2-thiol
CID 23299034
2,2,4,4,6-pentamethylheptane-1-thiol
CID 175071288
2,4-dimethylpentane
CID 157050020
2-methylpropane-2-thiol;propan-2-imine
CID 164871424
2,3-dimethylpentane-2-thiol
CID 90985123
N,N-ditert-butyl-2-methylpropan-1-amine
CID 18314178
2,3,5-trimethylhexane-1-thiol
CID 56980634
2,3,3,4,7-pentamethyloctane-2-thiol
CID 142509004

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane-1-thiol;2-methylpropane-2-thiol;sulfane?
The IUPAC name of 2-methylpropane-1-thiol;2-methylpropane-2-thiol;sulfane (CID 174913828) is 2-methylpropane-1-thiol;2-methylpropane-2-thiol;sulfane.
What is the SMILES notation for 2-methylpropane-1-thiol;2-methylpropane-2-thiol;sulfane?
The canonical SMILES for 2-methylpropane-1-thiol;2-methylpropane-2-thiol;sulfane is CC(C)(C)S.CC(C)CS.S.
What is the InChIKey of 2-methylpropane-1-thiol;2-methylpropane-2-thiol;sulfane?
The InChIKey is UYEYGUSNOMSVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10S.H2S/c1-4(2,3)5;1-4(2)3-5;/h5H,1-3H3;4-5H,3H2,1-2H3;1H2.
What are the key properties of 2-methylpropane-1-thiol;2-methylpropane-2-thiol;sulfane?
2-methylpropane-1-thiol;2-methylpropane-2-thiol;sulfane has a molecular weight of 214.46 g/mol, XLogP of 3.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane-1-thiol;2-methylpropane-2-thiol;sulfane is sourced from PubChem (CID 174913828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).