2-methylpropane-1,2-dithiol

C4H10S2 — CID 16664243

IUPAC2-methylpropane-1,2-dithiol
SMILESCC(C)(S)CS
InChIInChI=1S/C4H10S2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3
InChIKeyRSJZKUQJWIKWDY-UHFFFAOYSA-N
MW122.26 g/mol
LogP1.62
Rot. Bonds1

About 2-methylpropane-1,2-dithiol

2-methylpropane-1,2-dithiol (PubChem CID 16664243) has the molecular formula C4H10S2 and a molecular weight of 122.26 g/mol. Its IUPAC name is 2-methylpropane-1,2-dithiol.

Molecular Properties

Compound Name2-methylpropane-1,2-dithiol
PubChem CID16664243
Molecular FormulaC4H10S2
Molecular Weight122.26 g/mol
Exact Mass122.02
IUPAC Name2-methylpropane-1,2-dithiol
SMILESCC(C)(S)CS
InChIInChI=1S/C4H10S2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3
InChIKeyRSJZKUQJWIKWDY-UHFFFAOYSA-N
XLogP1.62
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.26
LogP ≤ 51.62
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

CID 12377
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CID 8012
CID 8012
CID 10560
CID 10560
CID 22383
CID 22383
CID 16592
CID 16592
CID 548353
CID 548353
CID 5319765
CID 5319765
CID 77932
CID 77932
CID 61217
CID 61217
CID 10558
CID 10558
CID 35349
CID 35349
CID 79148
CID 79148

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane-1,2-dithiol?
The IUPAC name of 2-methylpropane-1,2-dithiol (CID 16664243) is 2-methylpropane-1,2-dithiol.
What is the SMILES notation for 2-methylpropane-1,2-dithiol?
The canonical SMILES for 2-methylpropane-1,2-dithiol is CC(C)(S)CS.
What is the InChIKey of 2-methylpropane-1,2-dithiol?
The InChIKey is RSJZKUQJWIKWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3.
What are the key properties of 2-methylpropane-1,2-dithiol?
2-methylpropane-1,2-dithiol has a molecular weight of 122.26 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane-1,2-dithiol is sourced from PubChem (CID 16664243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).