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141186-37-0 | 2(3H)-Benzothiazolethione, 3-[(4H-1,2,4-triazol-4-ylamino)methyl]-
CAS No: 141186-37-0 Catalog No: AG001G1L MDL No:
Product Description
Catalog Number:
AG001G1L
Chemical Name:
2(3H)-Benzothiazolethione, 3-[(4H-1,2,4-triazol-4-ylamino)methyl]-
CAS Number:
141186-37-0
Molecular Formula:
C10H9N5S2
Molecular Weight:
263.3420
IUPAC Name:
3-[(1,2,4-triazol-4-ylamino)methyl]-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C10H9N5S2/c16-10-15(7-13-14-5-11-12-6-14)8-3-1-2-4-9(8)17-10/h1-6,13H,7H2
InChI Key:
ICKFGWVOVXRUDK-UHFFFAOYSA-N
SMILES:
S=c1sc2c(n1CNn1cnnc1)cccc2
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.03g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.337g/mol
Monoisotopic Mass:
263.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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