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

C8H11Cl2NS — CID 155978439

IUPAC2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-amine;hydrochloride
SMILESCl.NC1CCCc2sc(Cl)cc21
InChIInChI=1S/C8H10ClNS.ClH/c9-8-4-5-6(10)2-1-3-7(5)11-8;/h4,6H,1-3,10H2;1H
InChIKeyJSOYVWCRKGEPKG-UHFFFAOYSA-N
MW224.16 g/mol
LogP3.16
Rot. Bonds

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

2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-amine;hydrochloride (PubChem CID 155978439) has the molecular formula C8H11Cl2NS and a molecular weight of 224.16 g/mol. Its IUPAC name is 2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-amine;hydrochloride.

Molecular Properties

Compound Name2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-amine;hydrochloride
PubChem CID155978439
Molecular FormulaC8H11Cl2NS
Molecular Weight224.16 g/mol
Exact Mass223.00
IUPAC Name2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-amine;hydrochloride
SMILESCl.NC1CCCc2sc(Cl)cc21
InChIInChI=1S/C8H10ClNS.ClH/c9-8-4-5-6(10)2-1-3-7(5)11-8;/h4,6H,1-3,10H2;1H
InChIKeyJSOYVWCRKGEPKG-UHFFFAOYSA-N
XLogP3.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.16
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-Chloro-1-benzothiophen-2-yl)methanamine
CID 17607365
4,5,6,7-Tetrahydro-1-benzothiophen-4-amine
CID 4216372
(4-Chlorophenyl)(thiophen-2-yl)methanamine
CID 22506646
2-(3-Chlorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3061996
2-(4-Chlorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062000
2-(2,6-Dichlorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062007
(4-Chlorophenyl)(thiophen-2-yl)methanamine hydrochloride
CID 42950978
2-Chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 20348975
(4,5,6,7-Tetrahydrobenzo[b]thiophen-2-yl)methanamine
CID 25247411
(4,5,6,7-Tetrahydro-1-benzothiophen-2-yl)methanamine hydrochloride
CID 42950235
(4-Chlorophenyl)(thiophen-3-yl)methanamine hydrochloride
CID 45792317
2-chloro-4H,5H,6H-cyclopenta[b]thiophen-4-amine hydrochloride
CID 165653259

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-amine;hydrochloride?
The IUPAC name of 2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-amine;hydrochloride (CID 155978439) is 2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-amine;hydrochloride.
What is the SMILES notation for 2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-amine;hydrochloride?
The canonical SMILES for 2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-amine;hydrochloride is Cl.NC1CCCc2sc(Cl)cc21.
What is the InChIKey of 2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-amine;hydrochloride?
The InChIKey is JSOYVWCRKGEPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNS.ClH/c9-8-4-5-6(10)2-1-3-7(5)11-8;/h4,6H,1-3,10H2;1H.
What are the key properties of 2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-amine;hydrochloride?
2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-amine;hydrochloride has a molecular weight of 224.16 g/mol, XLogP of 3.16, 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-4-amine;hydrochloride is sourced from PubChem (CID 155978439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).