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2741-05-1 | Thiourea, N-2-benzothiazolyl-N-methyl- (9CI)
CAS No: 2741-05-1 Catalog No: AG00BVOD MDL No:
Product Description
Catalog Number:
AG00BVOD
Chemical Name:
Thiourea, N-2-benzothiazolyl-N-methyl- (9CI)
CAS Number:
2741-05-1
IUPAC Name:
1-(1,3-benzothiazol-2-yl)-3-methylthiourea
InChI:
InChI=1S/C9H9N3S2/c1-10-8(13)12-9-11-6-4-2-3-5-7(6)14-9/h2-5H,1H3,(H2,10,11,12,13)
InChI Key:
MXEMQPFFCUBQQU-UHFFFAOYSA-N
Properties
Complexity:
222
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:
97.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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