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19241-17-9 | Benzene, 4-isothiocyanato-1,2-dimethyl-
CAS No: 19241-17-9 Catalog No: AG002FXC MDL No:MFCD00031536
Product Description
Catalog Number:
AG002FXC
Chemical Name:
Benzene, 4-isothiocyanato-1,2-dimethyl-
CAS Number:
19241-17-9
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
MDL Number:
MFCD00031536
IUPAC Name:
4-isothiocyanato-1,2-dimethylbenzene
InChI:
InChI=1S/C9H9NS/c1-7-3-4-9(10-6-11)5-8(7)2/h3-5H,1-2H3
InChI Key:
JFSHJWKBNJMGOK-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(c(c1)C)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.046g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.238g/mol
Monoisotopic Mass:
163.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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