2-methylsulfanylpropane-2-thiol

C4H10S2 — CID 123824201

IUPAC2-methylsulfanylpropane-2-thiol
SMILESCSC(C)(C)S
InChIInChI=1S/C4H10S2/c1-4(2,5)6-3/h5H,1-3H3
InChIKeyDGHPBASPVULIOG-UHFFFAOYSA-N
MW122.26 g/mol
LogP2.02
Rot. Bonds1

About 2-methylsulfanylpropane-2-thiol

2-methylsulfanylpropane-2-thiol (PubChem CID 123824201) has the molecular formula C4H10S2 and a molecular weight of 122.26 g/mol. Its IUPAC name is 2-methylsulfanylpropane-2-thiol.

Molecular Properties

Compound Name2-methylsulfanylpropane-2-thiol
PubChem CID123824201
Molecular FormulaC4H10S2
Molecular Weight122.26 g/mol
Exact Mass122.02
IUPAC Name2-methylsulfanylpropane-2-thiol
SMILESCSC(C)(C)S
InChIInChI=1S/C4H10S2/c1-4(2,5)6-3/h5H,1-3H3
InChIKeyDGHPBASPVULIOG-UHFFFAOYSA-N
XLogP2.02
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylpropane-2-thiol?
The IUPAC name of 2-methylsulfanylpropane-2-thiol (CID 123824201) is 2-methylsulfanylpropane-2-thiol.
What is the SMILES notation for 2-methylsulfanylpropane-2-thiol?
The canonical SMILES for 2-methylsulfanylpropane-2-thiol is CSC(C)(C)S.
What is the InChIKey of 2-methylsulfanylpropane-2-thiol?
The InChIKey is DGHPBASPVULIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S2/c1-4(2,5)6-3/h5H,1-3H3.
What are the key properties of 2-methylsulfanylpropane-2-thiol?
2-methylsulfanylpropane-2-thiol has a molecular weight of 122.26 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylpropane-2-thiol is sourced from PubChem (CID 123824201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).