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52112-82-0 | Thiourea, (6-methyl-2-benzothiazolyl)- (9CI)
CAS No: 52112-82-0 Catalog No: AG00DHMC MDL No:
Product Description
Catalog Number:
AG00DHMC
Chemical Name:
Thiourea, (6-methyl-2-benzothiazolyl)- (9CI)
CAS Number:
52112-82-0
IUPAC Name:
(6-methyl-1,3-benzothiazol-2-yl)thiourea
InChI:
InChI=1S/C9H9N3S2/c1-5-2-3-6-7(4-5)14-9(11-6)12-8(10)13/h2-4H,1H3,(H3,10,11,12,13)
InChI Key:
LZWRIXAJVKFROK-UHFFFAOYSA-N
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.312g/mol
Monoisotopic Mass:
223.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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