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113679-28-0 | 1-Propanaminium, 2-hydroxy-3-mercapto-N,N,N-trimethyl-, chloride (1:1)
CAS No: 113679-28-0 Catalog No: AG0009AD MDL No:
Product Description
Catalog Number:
AG0009AD
Chemical Name:
1-Propanaminium, 2-hydroxy-3-mercapto-N,N,N-trimethyl-, chloride (1:1)
CAS Number:
113679-28-0
Molecular Formula:
C6H16ClNOS
Molecular Weight:
185.7153
IUPAC Name:
(2-hydroxy-3-sulfanylpropyl)-trimethylazanium;chloride
InChI:
InChI=1S/C6H15NOS.ClH/c1-7(2,3)4-6(8)5-9;/h6,8H,4-5H2,1-3H3;1H
InChI Key:
FJXOFKZSUHZEHJ-UHFFFAOYSA-N
SMILES:
SCC(C[N+](C)(C)C)O.[Cl-]
Properties
Complexity:
79.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.064g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.71g/mol
Monoisotopic Mass:
185.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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