(5-chlorothiophen-3-yl)methanamine;hydrochloride

C5H7Cl2NS — CID 57415853

IUPAC(5-chlorothiophen-3-yl)methanamine;hydrochloride
SMILESCl.NCc1csc(Cl)c1
InChIInChI=1S/C5H6ClNS.ClH/c6-5-1-4(2-7)3-8-5;/h1,3H,2,7H2;1H
InChIKeySBYZUYHIUFMANA-UHFFFAOYSA-N
MW184.09 g/mol
LogP2.28
Rot. Bonds1

About (5-chlorothiophen-3-yl)methanamine;hydrochloride

(5-chlorothiophen-3-yl)methanamine;hydrochloride (PubChem CID 57415853) has the molecular formula C5H7Cl2NS and a molecular weight of 184.09 g/mol. Its IUPAC name is (5-chlorothiophen-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-chlorothiophen-3-yl)methanamine;hydrochloride
PubChem CID57415853
Molecular FormulaC5H7Cl2NS
Molecular Weight184.09 g/mol
Exact Mass182.97
IUPAC Name(5-chlorothiophen-3-yl)methanamine;hydrochloride
SMILESCl.NCc1csc(Cl)c1
InChIInChI=1S/C5H6ClNS.ClH/c6-5-1-4(2-7)3-8-5;/h1,3H,2,7H2;1H
InChIKeySBYZUYHIUFMANA-UHFFFAOYSA-N
XLogP2.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.09
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-3-yl)methanamine;hydrochloride?
The IUPAC name of (5-chlorothiophen-3-yl)methanamine;hydrochloride (CID 57415853) is (5-chlorothiophen-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-chlorothiophen-3-yl)methanamine;hydrochloride?
The canonical SMILES for (5-chlorothiophen-3-yl)methanamine;hydrochloride is Cl.NCc1csc(Cl)c1.
What is the InChIKey of (5-chlorothiophen-3-yl)methanamine;hydrochloride?
The InChIKey is SBYZUYHIUFMANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNS.ClH/c6-5-1-4(2-7)3-8-5;/h1,3H,2,7H2;1H.
What are the key properties of (5-chlorothiophen-3-yl)methanamine;hydrochloride?
(5-chlorothiophen-3-yl)methanamine;hydrochloride has a molecular weight of 184.09 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 57415853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).