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Home > Nitro Compounds > 60431-65-4
60431-65-4 | 3-[(P-NITROANILINO)METHYL]-2-BENZOTHIAZOLINETHIONE
CAS No: 60431-65-4 Catalog No: AG00F4AF MDL No:
Product Description
Catalog Number:
AG00F4AF
Chemical Name:
3-[(P-NITROANILINO)METHYL]-2-BENZOTHIAZOLINETHIONE
CAS Number:
60431-65-4
IUPAC Name:
3-[(4-nitroanilino)methyl]-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C14H11N3O2S2/c18-17(19)11-7-5-10(6-8-11)15-9-16-12-3-1-2-4-13(12)21-14(16)20/h1-8,15H,9H2
InChI Key:
UTKZLNADJQUIFU-UHFFFAOYSA-N
NSC Number:
87595
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.029g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.381g/mol
Monoisotopic Mass:
317.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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