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127627-23-0 | 2-Benzothiazolecarbothioic acid, hydrazide
CAS No: 127627-23-0 Catalog No: AG000X84 MDL No:
Product Description
Catalog Number:
AG000X84
Chemical Name:
2-Benzothiazolecarbothioic acid, hydrazide
CAS Number:
127627-23-0
Molecular Formula:
C8H7N3S2
Molecular Weight:
209.2913
IUPAC Name:
1,3-benzothiazole-2-carbothiohydrazide
InChI:
InChI=1S/C8H7N3S2/c9-11-7(12)8-10-5-3-1-2-4-6(5)13-8/h1-4H,9H2,(H,11,12)
InChI Key:
NJYRKUFOLPJFAT-UHFFFAOYSA-N
SMILES:
NNC(=S)c1nc2c(s1)cccc2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.008g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.285g/mol
Monoisotopic Mass:
209.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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