2-Amino-4,5-dimethylthiophene Hydrochloride - CAS 1797130-39-2
Catalog: |
BB074855 |
Product Name: |
2-Amino-4,5-dimethylthiophene Hydrochloride |
CAS: |
1797130-39-2 |
Synonyms: |
2-Amino-4,5-dimethylthiophene Hydrochloride; 4,5-Dimethylthiophen-2-amine hydrochloride; 4,5-dimethylthiophen-2-amine; hydrochloride |
IUPAC Name: | 4,5-dimethylthiophen-2-aminehydrochloride |
Molecular Weight: | 163.67 |
Molecular Formula: | C6H10ClNS |
Canonical SMILES: | CC1=C(SC(=C1)N)C.Cl |
InChI: | InChI=1S/C6H9NS.ClH/c1-4-3-6(7)8-5(4)2/h3H,7H2,1-2H31H |
InChI Key: | BHKSPYJLDYJPCE-UHFFFAOYSA-N |
References: | Adachi, I. et al. Chem. Pharm. Bull., 36, 4389 (1988). |
Complexity: | 84.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.0222482 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.0222482 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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