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

C5H7Cl2NS — CID 154577335

IUPAC(2-chlorothiophen-3-yl)methanamine;hydrochloride
SMILESCl.NCc1ccsc1Cl
InChIInChI=1S/C5H6ClNS.ClH/c6-5-4(3-7)1-2-8-5;/h1-2H,3,7H2;1H
InChIKeyHERPAAZKPVLCNY-UHFFFAOYSA-N
MW184.09 g/mol
LogP2.28
Rot. Bonds1

About (2-chlorothiophen-3-yl)methanamine;hydrochloride

(2-chlorothiophen-3-yl)methanamine;hydrochloride (PubChem CID 154577335) has the molecular formula C5H7Cl2NS and a molecular weight of 184.09 g/mol. Its IUPAC name is (2-chlorothiophen-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-chlorothiophen-3-yl)methanamine;hydrochloride
PubChem CID154577335
Molecular FormulaC5H7Cl2NS
Molecular Weight184.09 g/mol
Exact Mass182.97
IUPAC Name(2-chlorothiophen-3-yl)methanamine;hydrochloride
SMILESCl.NCc1ccsc1Cl
InChIInChI=1S/C5H6ClNS.ClH/c6-5-4(3-7)1-2-8-5;/h1-2H,3,7H2;1H
InChIKeyHERPAAZKPVLCNY-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 (2-chlorothiophen-3-yl)methanamine;hydrochloride?
The IUPAC name of (2-chlorothiophen-3-yl)methanamine;hydrochloride (CID 154577335) is (2-chlorothiophen-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (2-chlorothiophen-3-yl)methanamine;hydrochloride?
The canonical SMILES for (2-chlorothiophen-3-yl)methanamine;hydrochloride is Cl.NCc1ccsc1Cl.
What is the InChIKey of (2-chlorothiophen-3-yl)methanamine;hydrochloride?
The InChIKey is HERPAAZKPVLCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNS.ClH/c6-5-4(3-7)1-2-8-5;/h1-2H,3,7H2;1H.
What are the key properties of (2-chlorothiophen-3-yl)methanamine;hydrochloride?
(2-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 (2-chlorothiophen-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 154577335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).