2-methylsulfanylpropane-1,2,3-trithiol

C4H10S4 — CID 175815036

IUPAC2-methylsulfanylpropane-1,2,3-trithiol
SMILESCSC(S)(CS)CS
InChIInChI=1S/C4H10S4/c1-8-4(7,2-5)3-6/h5-7H,2-3H2,1H3
InChIKeyLYNUOHYSWRYNIN-UHFFFAOYSA-N
MW186.39 g/mol
LogP1.84
Rot. Bonds3

About 2-methylsulfanylpropane-1,2,3-trithiol

2-methylsulfanylpropane-1,2,3-trithiol (PubChem CID 175815036) has the molecular formula C4H10S4 and a molecular weight of 186.39 g/mol. Its IUPAC name is 2-methylsulfanylpropane-1,2,3-trithiol.

Molecular Properties

Compound Name2-methylsulfanylpropane-1,2,3-trithiol
PubChem CID175815036
Molecular FormulaC4H10S4
Molecular Weight186.39 g/mol
Exact Mass185.97
IUPAC Name2-methylsulfanylpropane-1,2,3-trithiol
SMILESCSC(S)(CS)CS
InChIInChI=1S/C4H10S4/c1-8-4(7,2-5)3-6/h5-7H,2-3H2,1H3
InChIKeyLYNUOHYSWRYNIN-UHFFFAOYSA-N
XLogP1.84
TPSA0.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.39
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

2-methylsulfanylpropane-2-thiol
CID 123824201
1,1-bis(methylsulfanyl)propane-1-thiol
CID 174923915
methanedithiol;methylsulfanylmethane
CID 161461076
2-methylsulfanylbutane-2-thiol
CID 89333098
2,3-dimethyl-1,4-bis(sulfanyl)butane-2,3-diol
CID 58892166
1,2-bis(sulfanyl)ethane-1,1-diol
CID 150334955
1-(dimethylamino)-2-methylsulfanylpropane-2-thiol
CID 91508508
1,1,1,2,2,2-hexakis(methylsulfanyl)ethane
CID 22765408
2-methylbutane-1,2,3-trithiol
CID 20568486
2,4-bis(methylsulfanyl)-2-sulfanylbutanal
CID 89115646
3-(1-sulfanylbutan-2-ylsulfanyl)pentane-3-thiol
CID 88952221
2,2-diethylbutane-1-thiol
CID 86158265

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylpropane-1,2,3-trithiol?
The IUPAC name of 2-methylsulfanylpropane-1,2,3-trithiol (CID 175815036) is 2-methylsulfanylpropane-1,2,3-trithiol.
What is the SMILES notation for 2-methylsulfanylpropane-1,2,3-trithiol?
The canonical SMILES for 2-methylsulfanylpropane-1,2,3-trithiol is CSC(S)(CS)CS.
What is the InChIKey of 2-methylsulfanylpropane-1,2,3-trithiol?
The InChIKey is LYNUOHYSWRYNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S4/c1-8-4(7,2-5)3-6/h5-7H,2-3H2,1H3.
What are the key properties of 2-methylsulfanylpropane-1,2,3-trithiol?
2-methylsulfanylpropane-1,2,3-trithiol has a molecular weight of 186.39 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylpropane-1,2,3-trithiol is sourced from PubChem (CID 175815036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).