4-Aminobutane-1-thiol Hydrochloride - CAS 31098-39-2
Catalog: |
BB075303 |
Product Name: |
4-Aminobutane-1-thiol Hydrochloride |
CAS: |
31098-39-2 |
Synonyms: |
4-aminobutane-1-thiol hydrochloride; 4-aminobutane-1-thiol; hydrochloride; 1-Butanethiol, 4-amino-, hydrochloride (1:1); 4-aminobutane-1-thiolhydrochloride |
IUPAC Name: | 4-aminobutane-1-thiolhydrochloride |
Molecular Weight: | 105.20 + 36.46 |
Molecular Formula: | C4H11NS·HCl |
Canonical SMILES: | C(CCS)CN.Cl |
InChI: | InChI=1S/C4H11NS.ClH/c5-3-1-2-4-6/h6H,1-5H21H |
InChI Key: | CJJZMUQZPYGLGI-UHFFFAOYSA-N |
Complexity: | 23.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.0378983 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.0378983 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 27Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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