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31098-39-2 | 1-Butanethiol, 4-amino-, hydrochloride (1:1)
CAS No: 31098-39-2 Catalog No: AG00323P MDL No:
Product Description
Catalog Number:
AG00323P
Chemical Name:
1-Butanethiol, 4-amino-, hydrochloride (1:1)
CAS Number:
31098-39-2
Molecular Formula:
C4H12ClNS
Molecular Weight:
141.6628
IUPAC Name:
4-aminobutane-1-thiol;hydrochloride
InChI:
InChI=1S/C4H11NS.ClH/c5-3-1-2-4-6;/h6H,1-5H2;1H
InChI Key:
CJJZMUQZPYGLGI-UHFFFAOYSA-N
SMILES:
NCCCCS.Cl
Properties
Complexity:
23.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.038g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
141.657g/mol
Monoisotopic Mass:
141.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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