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897-43-8 | DIMETHYL-[(E)-4-(3-METHYLSULFANYLPHENYL)-4-PHENYL-BUT-3-ENYL]AZANIUM CHLORIDE
CAS No: 897-43-8 Catalog No: AG00415Z MDL No:
Product Description
Catalog Number:
AG00415Z
Chemical Name:
DIMETHYL-[(E)-4-(3-METHYLSULFANYLPHENYL)-4-PHENYL-BUT-3-ENYL]AZANIUM CHLORIDE
CAS Number:
897-43-8
Molecular Formula:
C19H24ClNS
Molecular Weight:
333.9186
IUPAC Name:
dimethyl-[4-(3-methylsulfanylphenyl)-4-phenylbut-3-enyl]azanium;chloride
InChI:
InChI=1S/C19H23NS.ClH/c1-20(2)14-8-13-19(16-9-5-4-6-10-16)17-11-7-12-18(15-17)21-3;/h4-7,9-13,15H,8,14H2,1-3H3;1H
InChI Key:
HWXROCRJYSUJKB-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1)/C(=C/CC[NH+](C)C)/c1ccccc1.[Cl-]
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.132g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.918g/mol
Monoisotopic Mass:
333.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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