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

C5H7Cl2NS — CID 91659085

IUPAC(4-chlorothiophen-2-yl)methanamine;hydrochloride
SMILESCl.NCc1cc(Cl)cs1
InChIInChI=1S/C5H6ClNS.ClH/c6-4-1-5(2-7)8-3-4;/h1,3H,2,7H2;1H
InChIKeyXOJKHYRCAHXIEU-UHFFFAOYSA-N
MW184.09 g/mol
LogP2.28
Rot. Bonds1

About (4-chlorothiophen-2-yl)methanamine;hydrochloride

(4-chlorothiophen-2-yl)methanamine;hydrochloride (PubChem CID 91659085) has the molecular formula C5H7Cl2NS and a molecular weight of 184.09 g/mol. Its IUPAC name is (4-chlorothiophen-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-chlorothiophen-2-yl)methanamine;hydrochloride
PubChem CID91659085
Molecular FormulaC5H7Cl2NS
Molecular Weight184.09 g/mol
Exact Mass182.97
IUPAC Name(4-chlorothiophen-2-yl)methanamine;hydrochloride
SMILESCl.NCc1cc(Cl)cs1
InChIInChI=1S/C5H6ClNS.ClH/c6-4-1-5(2-7)8-3-4;/h1,3H,2,7H2;1H
InChIKeyXOJKHYRCAHXIEU-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 (4-chlorothiophen-2-yl)methanamine;hydrochloride?
The IUPAC name of (4-chlorothiophen-2-yl)methanamine;hydrochloride (CID 91659085) is (4-chlorothiophen-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (4-chlorothiophen-2-yl)methanamine;hydrochloride?
The canonical SMILES for (4-chlorothiophen-2-yl)methanamine;hydrochloride is Cl.NCc1cc(Cl)cs1.
What is the InChIKey of (4-chlorothiophen-2-yl)methanamine;hydrochloride?
The InChIKey is XOJKHYRCAHXIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNS.ClH/c6-4-1-5(2-7)8-3-4;/h1,3H,2,7H2;1H.
What are the key properties of (4-chlorothiophen-2-yl)methanamine;hydrochloride?
(4-chlorothiophen-2-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 (4-chlorothiophen-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 91659085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).