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100663-23-8 | Benzoyl isothiocyanate, 3-(dimethylamino)-
CAS No: 100663-23-8 Catalog No: AG0002LM MDL No:
Product Description
Catalog Number:
AG0002LM
Chemical Name:
Benzoyl isothiocyanate, 3-(dimethylamino)-
CAS Number:
100663-23-8
Molecular Formula:
C10H10N2OS
Molecular Weight:
206.2642
IUPAC Name:
3-(dimethylamino)benzoyl isothiocyanate
InChI:
InChI=1S/C10H10N2OS/c1-12(2)9-5-3-4-8(6-9)10(13)11-7-14/h3-6H,1-2H3
InChI Key:
PIEOOCRNDQSIDB-UHFFFAOYSA-N
SMILES:
S=C=NC(=O)c1cccc(c1)N(C)C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.263g/mol
Monoisotopic Mass:
206.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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