7-methyl-3,4-dihydro-1H-imidazo[4,5-b]indole-2-thione

C10H9N3S — CID 146945423

IUPAC7-methyl-3,4-dihydro-1H-imidazo[4,5-b]indole-2-thione
SMILESCc1ccc2[nH]c3[nH]c(=S)[nH]c3c2c1
InChIInChI=1S/C10H9N3S/c1-5-2-3-7-6(4-5)8-9(11-7)13-10(14)12-8/h2-4,11H,1H3,(H2,12,13,14)
InChIKeyAHRWPCKNPWNRPG-UHFFFAOYSA-N
MW203.27 g/mol
LogP3.02
Rot. Bonds

About 7-methyl-3,4-dihydro-1H-imidazo[4,5-b]indole-2-thione

7-methyl-3,4-dihydro-1H-imidazo[4,5-b]indole-2-thione (PubChem CID 146945423) has the molecular formula C10H9N3S and a molecular weight of 203.27 g/mol. Its IUPAC name is 7-methyl-3,4-dihydro-1H-imidazo[4,5-b]indole-2-thione.

Molecular Properties

Compound Name7-methyl-3,4-dihydro-1H-imidazo[4,5-b]indole-2-thione
PubChem CID146945423
Molecular FormulaC10H9N3S
Molecular Weight203.27 g/mol
Exact Mass203.05
IUPAC Name7-methyl-3,4-dihydro-1H-imidazo[4,5-b]indole-2-thione
SMILESCc1ccc2[nH]c3[nH]c(=S)[nH]c3c2c1
InChIInChI=1S/C10H9N3S/c1-5-2-3-7-6(4-5)8-9(11-7)13-10(14)12-8/h2-4,11H,1H3,(H2,12,13,14)
InChIKeyAHRWPCKNPWNRPG-UHFFFAOYSA-N
XLogP3.02
TPSA47.37 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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 7-methyl-3,4-dihydro-1H-imidazo[4,5-b]indole-2-thione?
The IUPAC name of 7-methyl-3,4-dihydro-1H-imidazo[4,5-b]indole-2-thione (CID 146945423) is 7-methyl-3,4-dihydro-1H-imidazo[4,5-b]indole-2-thione.
What is the SMILES notation for 7-methyl-3,4-dihydro-1H-imidazo[4,5-b]indole-2-thione?
The canonical SMILES for 7-methyl-3,4-dihydro-1H-imidazo[4,5-b]indole-2-thione is Cc1ccc2[nH]c3[nH]c(=S)[nH]c3c2c1.
What is the InChIKey of 7-methyl-3,4-dihydro-1H-imidazo[4,5-b]indole-2-thione?
The InChIKey is AHRWPCKNPWNRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S/c1-5-2-3-7-6(4-5)8-9(11-7)13-10(14)12-8/h2-4,11H,1H3,(H2,12,13,14).
What are the key properties of 7-methyl-3,4-dihydro-1H-imidazo[4,5-b]indole-2-thione?
7-methyl-3,4-dihydro-1H-imidazo[4,5-b]indole-2-thione has a molecular weight of 203.27 g/mol, XLogP of 3.02, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,4-dihydro-1H-imidazo[4,5-b]indole-2-thione is sourced from PubChem (CID 146945423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).