4-methyldithiolo[3,4-b]indole-1-thione

C10H7NS3 — CID 617010

IUPAC4-methyldithiolo[3,4-b]indole-1-thione
SMILESCn1c2ccccc2c2c(=S)ssc21
InChIInChI=1S/C10H7NS3/c1-11-7-5-3-2-4-6(7)8-9(11)13-14-10(8)12/h2-5H,1H3
InChIKeyGQWJYFCHDWMSTI-UHFFFAOYSA-N
MW237.37 g/mol
LogP4.18
Rot. Bonds

About 4-methyldithiolo[3,4-b]indole-1-thione

4-methyldithiolo[3,4-b]indole-1-thione (PubChem CID 617010) has the molecular formula C10H7NS3 and a molecular weight of 237.37 g/mol. Its IUPAC name is 4-methyldithiolo[3,4-b]indole-1-thione.

Molecular Properties

Compound Name4-methyldithiolo[3,4-b]indole-1-thione
PubChem CID617010
Molecular FormulaC10H7NS3
Molecular Weight237.37 g/mol
Exact Mass236.97
IUPAC Name4-methyldithiolo[3,4-b]indole-1-thione
SMILESCn1c2ccccc2c2c(=S)ssc21
InChIInChI=1S/C10H7NS3/c1-11-7-5-3-2-4-6(7)8-9(11)13-14-10(8)12/h2-5H,1H3
InChIKeyGQWJYFCHDWMSTI-UHFFFAOYSA-N
XLogP4.18
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyldithiolo[3,4-b]indole-1-thione?
The IUPAC name of 4-methyldithiolo[3,4-b]indole-1-thione (CID 617010) is 4-methyldithiolo[3,4-b]indole-1-thione.
What is the SMILES notation for 4-methyldithiolo[3,4-b]indole-1-thione?
The canonical SMILES for 4-methyldithiolo[3,4-b]indole-1-thione is Cn1c2ccccc2c2c(=S)ssc21.
What is the InChIKey of 4-methyldithiolo[3,4-b]indole-1-thione?
The InChIKey is GQWJYFCHDWMSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NS3/c1-11-7-5-3-2-4-6(7)8-9(11)13-14-10(8)12/h2-5H,1H3.
What are the key properties of 4-methyldithiolo[3,4-b]indole-1-thione?
4-methyldithiolo[3,4-b]indole-1-thione has a molecular weight of 237.37 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyldithiolo[3,4-b]indole-1-thione is sourced from PubChem (CID 617010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).