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100156-00-1 | Methanaminium, 1-(benzoylthio)-N,N-dimethyl-, chloride (1:1)
CAS No: 100156-00-1 Catalog No: AG000147 MDL No:
Product Description
Catalog Number:
AG000147
Chemical Name:
Methanaminium, 1-(benzoylthio)-N,N-dimethyl-, chloride (1:1)
CAS Number:
100156-00-1
Molecular Formula:
C10H14ClNOS
Molecular Weight:
231.7423
IUPAC Name:
benzoylsulfanylmethylidene(dimethyl)azanium;chloride
InChI:
InChI=1S/C10H12NOS.ClH/c1-11(2)8-13-10(12)9-6-4-3-5-7-9;/h3-8H,1-2H3;1H/q+1;/p-1
InChI Key:
CAQYLXFKGGAZPH-UHFFFAOYSA-M
SMILES:
O=C(c1ccccc1)SC[NH+](C)C.[Cl-]
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.722g/mol
Monoisotopic Mass:
229.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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