(5-chloro-1-benzothiophen-3-yl)methanamine;hydrochloride

C9H9Cl2NS — CID 2798781

IUPAC(5-chloro-1-benzothiophen-3-yl)methanamine;hydrochloride
SMILESCl.NCc1csc2ccc(Cl)cc12
InChIInChI=1S/C9H8ClNS.ClH/c10-7-1-2-9-8(3-7)6(4-11)5-12-9;/h1-3,5H,4,11H2;1H
InChIKeyOZUMDTLZDCOKEM-UHFFFAOYSA-N
MW234.15 g/mol
LogP3.44
Rot. Bonds1

About (5-chloro-1-benzothiophen-3-yl)methanamine;hydrochloride

(5-chloro-1-benzothiophen-3-yl)methanamine;hydrochloride (PubChem CID 2798781) has the molecular formula C9H9Cl2NS and a molecular weight of 234.15 g/mol. Its IUPAC name is (5-chloro-1-benzothiophen-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-chloro-1-benzothiophen-3-yl)methanamine;hydrochloride
PubChem CID2798781
Molecular FormulaC9H9Cl2NS
Molecular Weight234.15 g/mol
Exact Mass232.98
IUPAC Name(5-chloro-1-benzothiophen-3-yl)methanamine;hydrochloride
SMILESCl.NCc1csc2ccc(Cl)cc12
InChIInChI=1S/C9H8ClNS.ClH/c10-7-1-2-9-8(3-7)6(4-11)5-12-9;/h1-3,5H,4,11H2;1H
InChIKeyOZUMDTLZDCOKEM-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.15
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzothiophen-3-yl)methanamine;hydrochloride?
The IUPAC name of (5-chloro-1-benzothiophen-3-yl)methanamine;hydrochloride (CID 2798781) is (5-chloro-1-benzothiophen-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-chloro-1-benzothiophen-3-yl)methanamine;hydrochloride?
The canonical SMILES for (5-chloro-1-benzothiophen-3-yl)methanamine;hydrochloride is Cl.NCc1csc2ccc(Cl)cc12.
What is the InChIKey of (5-chloro-1-benzothiophen-3-yl)methanamine;hydrochloride?
The InChIKey is OZUMDTLZDCOKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNS.ClH/c10-7-1-2-9-8(3-7)6(4-11)5-12-9;/h1-3,5H,4,11H2;1H.
What are the key properties of (5-chloro-1-benzothiophen-3-yl)methanamine;hydrochloride?
(5-chloro-1-benzothiophen-3-yl)methanamine;hydrochloride has a molecular weight of 234.15 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzothiophen-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 2798781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).