1H-[1]benzothiolo[3,2-g]indole

C14H9NS — CID 13412151

IUPAC1H-[1]benzothiolo[3,2-g]indole
SMILESc1ccc2c(c1)sc1c2ccc2cc[nH]c21
InChIInChI=1S/C14H9NS/c1-2-4-12-10(3-1)11-6-5-9-7-8-15-13(9)14(11)16-12/h1-8,15H
InChIKeyGFSPWCQQEQOOPH-UHFFFAOYSA-N
MW223.30 g/mol
LogP4.54
Rot. Bonds

About 1H-[1]benzothiolo[3,2-g]indole

1H-[1]benzothiolo[3,2-g]indole (PubChem CID 13412151) has the molecular formula C14H9NS and a molecular weight of 223.30 g/mol. Its IUPAC name is 1H-[1]benzothiolo[3,2-g]indole.

Molecular Properties

Compound Name1H-[1]benzothiolo[3,2-g]indole
PubChem CID13412151
Molecular FormulaC14H9NS
Molecular Weight223.30 g/mol
Exact Mass223.05
IUPAC Name1H-[1]benzothiolo[3,2-g]indole
SMILESc1ccc2c(c1)sc1c2ccc2cc[nH]c21
InChIInChI=1S/C14H9NS/c1-2-4-12-10(3-1)11-6-5-9-7-8-15-13(9)14(11)16-12/h1-8,15H
InChIKeyGFSPWCQQEQOOPH-UHFFFAOYSA-N
XLogP4.54
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-[1]benzothiolo[3,2-g]indole?
The IUPAC name of 1H-[1]benzothiolo[3,2-g]indole (CID 13412151) is 1H-[1]benzothiolo[3,2-g]indole.
What is the SMILES notation for 1H-[1]benzothiolo[3,2-g]indole?
The canonical SMILES for 1H-[1]benzothiolo[3,2-g]indole is c1ccc2c(c1)sc1c2ccc2cc[nH]c21.
What is the InChIKey of 1H-[1]benzothiolo[3,2-g]indole?
The InChIKey is GFSPWCQQEQOOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NS/c1-2-4-12-10(3-1)11-6-5-9-7-8-15-13(9)14(11)16-12/h1-8,15H.
What are the key properties of 1H-[1]benzothiolo[3,2-g]indole?
1H-[1]benzothiolo[3,2-g]indole has a molecular weight of 223.30 g/mol, XLogP of 4.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-[1]benzothiolo[3,2-g]indole is sourced from PubChem (CID 13412151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).