Home Other Building Blocks 2,1,3-Benzothiadiazole,4-isothiocyanato-

2,1,3-Benzothiadiazole,4-isothiocyanato-

CAS No.:
109029-21-2
Catalog Number:
AG0082X1
Molecular Formula:
C7H3N3S2
Molecular Weight:
193.2488
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Product Description
Catalog Number:
AG0082X1
Chemical Name:
2,1,3-Benzothiadiazole,4-isothiocyanato-
CAS Number:
109029-21-2
Molecular Formula:
C7H3N3S2
Molecular Weight:
193.2488
MDL Number:
MFCD02681991
IUPAC Name:
4-isothiocyanato-2,1,3-benzothiadiazole
InChI:
InChI=1S/C7H3N3S2/c11-4-8-5-2-1-3-6-7(5)10-12-9-6/h1-3H
InChI Key:
JMBKFBYZSWMIOI-UHFFFAOYSA-N
SMILES:
S=C=Nc1cccc2c1nsn2
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.977g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.242g/mol
Monoisotopic Mass:
192.977g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
98.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties