2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-5-amine

C8H10ClNS — CID 18929814

IUPAC2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-5-amine
SMILESNC1CCc2sc(Cl)cc2C1
InChIInChI=1S/C8H10ClNS/c9-8-4-5-3-6(10)1-2-7(5)11-8/h4,6H,1-3,10H2
InChIKeyMCQCFAMIHKCRKF-UHFFFAOYSA-N
MW187.69 g/mol
LogP2.22
Rot. Bonds

About 2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-5-amine

2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-5-amine (PubChem CID 18929814) has the molecular formula C8H10ClNS and a molecular weight of 187.69 g/mol. Its IUPAC name is 2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-5-amine.

Molecular Properties

Compound Name2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-5-amine
PubChem CID18929814
Molecular FormulaC8H10ClNS
Molecular Weight187.69 g/mol
Exact Mass187.02
IUPAC Name2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-5-amine
SMILESNC1CCc2sc(Cl)cc2C1
InChIInChI=1S/C8H10ClNS/c9-8-4-5-3-6(10)1-2-7(5)11-8/h4,6H,1-3,10H2
InChIKeyMCQCFAMIHKCRKF-UHFFFAOYSA-N
XLogP2.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.69
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-Chloro-1-benzothiophen-2-yl)methanamine
CID 17607365
Benzo(b)thiophene-2-ethylamine, 5-chloro-, hydrochloride
CID 211992
2-Chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 20348975
2-Chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-amine hydrochloride
CID 155978439
1-(5-Chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-amine
CID 103048590
(4S)-2-chloro-4-(sulfamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene
CID 164631736
2-(3-Chloro-4-fluoro-1-benzothiophen-2-yl)ethanamine
CID 66967614
2-(Trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-5-amine
CID 176348164
2-(5-Chloro-1-benzothiophen-2-yl)ethanamine
CID 211993
2-(3-Chlorophenyl)-1-thiophen-2-ylethanamine
CID 3061997
2-(4-Chlorophenyl)-1-thiophen-2-ylethanamine
CID 3062001
1-(2-Chloro-6-fluorophenyl)-3-thiophen-2-ylpropan-2-amine
CID 24257776

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-5-amine?
The IUPAC name of 2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-5-amine (CID 18929814) is 2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-5-amine.
What is the SMILES notation for 2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-5-amine?
The canonical SMILES for 2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-5-amine is NC1CCc2sc(Cl)cc2C1.
What is the InChIKey of 2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-5-amine?
The InChIKey is MCQCFAMIHKCRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNS/c9-8-4-5-3-6(10)1-2-7(5)11-8/h4,6H,1-3,10H2.
What are the key properties of 2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-5-amine?
2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-5-amine has a molecular weight of 187.69 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-5-amine is sourced from PubChem (CID 18929814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).