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19241-15-7 | Benzene, 2-isothiocyanato-1,4-dimethyl-
CAS No: 19241-15-7 Catalog No: AG002FXE MDL No:MFCD00046798
Product Description
Catalog Number:
AG002FXE
Chemical Name:
Benzene, 2-isothiocyanato-1,4-dimethyl-
CAS Number:
19241-15-7
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
MDL Number:
MFCD00046798
IUPAC Name:
2-isothiocyanato-1,4-dimethylbenzene
InChI:
InChI=1S/C9H9NS/c1-7-3-4-8(2)9(5-7)10-6-11/h3-5H,1-2H3
InChI Key:
RCBXZRJVMSWGAO-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1N=C=S)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:
4.1
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