10-methylthiochromeno[2,3-b]indole

C16H11NS — CID 150606991

IUPAC10-methylthiochromeno[2,3-b]indole
SMILESCc1cccc2nc3sc4ccccc4cc-3c12
InChIInChI=1S/C16H11NS/c1-10-5-4-7-13-15(10)12-9-11-6-2-3-8-14(11)18-16(12)17-13/h2-9H,1H3
InChIKeyITBVCMREHRJYAR-UHFFFAOYSA-N
MW249.34 g/mol
LogP4.86
Rot. Bonds

About 10-methylthiochromeno[2,3-b]indole

10-methylthiochromeno[2,3-b]indole (PubChem CID 150606991) has the molecular formula C16H11NS and a molecular weight of 249.34 g/mol. Its IUPAC name is 10-methylthiochromeno[2,3-b]indole.

Molecular Properties

Compound Name10-methylthiochromeno[2,3-b]indole
PubChem CID150606991
Molecular FormulaC16H11NS
Molecular Weight249.34 g/mol
Exact Mass249.06
IUPAC Name10-methylthiochromeno[2,3-b]indole
SMILESCc1cccc2nc3sc4ccccc4cc-3c12
InChIInChI=1S/C16H11NS/c1-10-5-4-7-13-15(10)12-9-11-6-2-3-8-14(11)18-16(12)17-13/h2-9H,1H3
InChIKeyITBVCMREHRJYAR-UHFFFAOYSA-N
XLogP4.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylquinolin-3-yl)-1,3-benzothiazole
CID 163587218
2-(2,5-dimethylphenyl)-1,3-benzothiazole
CID 14365937
2,6-bis(1,3-benzothiazol-2-yl)-4-methylphenol
CID 137265432
2-(2,6-dimethylphenyl)-1-benzothiophene
CID 641356
2-(1,3-benzothiazol-2-yl)-5-methylbenzenethiol
CID 175383915
2-(2,8-dichloro-7-methylquinolin-3-yl)-1,3-benzothiazole
CID 155806756
5-chloro-2-(2-methylphenyl)-1,3-benzothiazole
CID 135074846
3-(5-methyl-1,3-benzothiazol-2-yl)naphthalen-2-amine
CID 43305013
5-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-amine
CID 117472107
2-[4-[4,6-bis[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1,3,5-triazin-2-yl]-3-methylphenyl]-1,3-benzothiazole
CID 139660511
2-(2-methylfuran-3-yl)-1,3-benzothiazole
CID 3264944
5-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine
CID 24711318

Frequently Asked Questions

What is the IUPAC name of 10-methylthiochromeno[2,3-b]indole?
The IUPAC name of 10-methylthiochromeno[2,3-b]indole (CID 150606991) is 10-methylthiochromeno[2,3-b]indole.
What is the SMILES notation for 10-methylthiochromeno[2,3-b]indole?
The canonical SMILES for 10-methylthiochromeno[2,3-b]indole is Cc1cccc2nc3sc4ccccc4cc-3c12.
What is the InChIKey of 10-methylthiochromeno[2,3-b]indole?
The InChIKey is ITBVCMREHRJYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NS/c1-10-5-4-7-13-15(10)12-9-11-6-2-3-8-14(11)18-16(12)17-13/h2-9H,1H3.
What are the key properties of 10-methylthiochromeno[2,3-b]indole?
10-methylthiochromeno[2,3-b]indole has a molecular weight of 249.34 g/mol, XLogP of 4.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylthiochromeno[2,3-b]indole is sourced from PubChem (CID 150606991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).