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61414-22-0 | 2-Benzothiazolecarbothioamide,N-methyl-(9CI)
CAS No: 61414-22-0 Catalog No: AG00EOQW MDL No:
Product Description
Catalog Number:
AG00EOQW
Chemical Name:
2-Benzothiazolecarbothioamide,N-methyl-(9CI)
CAS Number:
61414-22-0
IUPAC Name:
N-methyl-1,3-benzothiazole-2-carbothioamide
InChI:
InChI=1S/C9H8N2S2/c1-10-8(12)9-11-6-4-2-3-5-7(6)13-9/h2-5H,1H3,(H,10,12)
InChI Key:
CSLHCOJGUDIBKG-UHFFFAOYSA-N
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.013g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.297g/mol
Monoisotopic Mass:
208.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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