(2,5-dichlorothiophen-3-yl)methanamine;hydrochloride

C5H6Cl3NS — CID 71757986

IUPAC(2,5-dichlorothiophen-3-yl)methanamine;hydrochloride
SMILESCl.NCc1cc(Cl)sc1Cl
InChIInChI=1S/C5H5Cl2NS.ClH/c6-4-1-3(2-8)5(7)9-4;/h1H,2,8H2;1H
InChIKeyJSRCERUVZGQZEA-UHFFFAOYSA-N
MW218.54 g/mol
LogP2.94
Rot. Bonds1

About (2,5-dichlorothiophen-3-yl)methanamine;hydrochloride

(2,5-dichlorothiophen-3-yl)methanamine;hydrochloride (PubChem CID 71757986) has the molecular formula C5H6Cl3NS and a molecular weight of 218.54 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)methanamine;hydrochloride
PubChem CID71757986
Molecular FormulaC5H6Cl3NS
Molecular Weight218.54 g/mol
Exact Mass216.93
IUPAC Name(2,5-dichlorothiophen-3-yl)methanamine;hydrochloride
SMILESCl.NCc1cc(Cl)sc1Cl
InChIInChI=1S/C5H5Cl2NS.ClH/c6-4-1-3(2-8)5(7)9-4;/h1H,2,8H2;1H
InChIKeyJSRCERUVZGQZEA-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.54
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dichlorothiophen-3-yl)methylhydrazine;hydrochloride
CID 154577383
5-(2,5-dichlorothiophen-3-yl)pentan-1-amine
CID 65305801
N-[(2,5-dichlorothiophen-3-yl)methyl]hydroxylamine
CID 131048910
methyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride
CID 68973814
(2,7-dichlorothieno[2,3-c]pyridin-4-yl)methanamine
CID 130048890
2,5-dichlorothiophen-3-ol
CID 71437780
N-[(2,5-dichlorothiophen-3-yl)methyl]-2-hydroxyacetamide
CID 130682625
4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholin-4-ium
CID 6929577
methyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate
CID 68973815
methyl 2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate
CID 68973813
(4,5-dichlorothiophen-3-yl)methanamine
CID 82647647
4-(chloromethyl)-1-[(2,5-dichlorothiophen-3-yl)methyl]imidazole
CID 130705880

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)methanamine;hydrochloride?
The IUPAC name of (2,5-dichlorothiophen-3-yl)methanamine;hydrochloride (CID 71757986) is (2,5-dichlorothiophen-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)methanamine;hydrochloride?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)methanamine;hydrochloride is Cl.NCc1cc(Cl)sc1Cl.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)methanamine;hydrochloride?
The InChIKey is JSRCERUVZGQZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2NS.ClH/c6-4-1-3(2-8)5(7)9-4;/h1H,2,8H2;1H.
What are the key properties of (2,5-dichlorothiophen-3-yl)methanamine;hydrochloride?
(2,5-dichlorothiophen-3-yl)methanamine;hydrochloride has a molecular weight of 218.54 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 71757986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).