2-chloro-1-benzothiophene-5,7-diamine

C8H7ClN2S — CID 131080471

IUPAC2-chloro-1-benzothiophene-5,7-diamine
SMILESNc1cc(N)c2sc(Cl)cc2c1
InChIInChI=1S/C8H7ClN2S/c9-7-2-4-1-5(10)3-6(11)8(4)12-7/h1-3H,10-11H2
InChIKeyQFUSPYSHIWPSKL-UHFFFAOYSA-N
MW198.68 g/mol
LogP2.72
Rot. Bonds

About 2-chloro-1-benzothiophene-5,7-diamine

2-chloro-1-benzothiophene-5,7-diamine (PubChem CID 131080471) has the molecular formula C8H7ClN2S and a molecular weight of 198.68 g/mol. Its IUPAC name is 2-chloro-1-benzothiophene-5,7-diamine.

Molecular Properties

Compound Name2-chloro-1-benzothiophene-5,7-diamine
PubChem CID131080471
Molecular FormulaC8H7ClN2S
Molecular Weight198.68 g/mol
Exact Mass198.00
IUPAC Name2-chloro-1-benzothiophene-5,7-diamine
SMILESNc1cc(N)c2sc(Cl)cc2c1
InChIInChI=1S/C8H7ClN2S/c9-7-2-4-1-5(10)3-6(11)8(4)12-7/h1-3H,10-11H2
InChIKeyQFUSPYSHIWPSKL-UHFFFAOYSA-N
XLogP2.72
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.68
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-methyl-1-benzothiophen-7-amine
CID 131034093
7-chloro-2-methyl-1-benzothiophen-5-amine
CID 130969769
5-amino-7-chloro-1-benzothiophene-2-carbaldehyde
CID 131030906
2-chloro-5-methylsulfanyl-1-benzothiophen-7-ol
CID 130985425
4-(2,5-dichlorothiophen-3-yl)benzene-1,3-diamine
CID 61319033
2,5-dibromo-1-benzothiophen-7-amine
CID 130870284
6-chlorobenzene-1,2,4-triamine
CID 21330853
7-chloro-1-benzothiophen-5-amine
CID 68726057
7-amino-5-fluoro-1-benzothiophen-2-ol
CID 131169647
2-chloro-7-ethyl-5-methylsulfanyl-1-benzothiophene
CID 130969913
5-(bromomethyl)-2-chloro-7-ethyl-1-benzothiophene
CID 131060216
5-(bromomethyl)-2-chloro-7-methylsulfanyl-1-benzothiophene
CID 131138077

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-benzothiophene-5,7-diamine?
The IUPAC name of 2-chloro-1-benzothiophene-5,7-diamine (CID 131080471) is 2-chloro-1-benzothiophene-5,7-diamine.
What is the SMILES notation for 2-chloro-1-benzothiophene-5,7-diamine?
The canonical SMILES for 2-chloro-1-benzothiophene-5,7-diamine is Nc1cc(N)c2sc(Cl)cc2c1.
What is the InChIKey of 2-chloro-1-benzothiophene-5,7-diamine?
The InChIKey is QFUSPYSHIWPSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S/c9-7-2-4-1-5(10)3-6(11)8(4)12-7/h1-3H,10-11H2.
What are the key properties of 2-chloro-1-benzothiophene-5,7-diamine?
2-chloro-1-benzothiophene-5,7-diamine has a molecular weight of 198.68 g/mol, XLogP of 2.72, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-benzothiophene-5,7-diamine is sourced from PubChem (CID 131080471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).