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102434-06-0 | Urea, N-2-benzothiazolyl-N,N'-dimethyl-N'-nitroso-
CAS No: 102434-06-0 Catalog No: AG0007HB MDL No:
Product Description
Catalog Number:
AG0007HB
Chemical Name:
Urea, N-2-benzothiazolyl-N,N'-dimethyl-N'-nitroso-
CAS Number:
102434-06-0
Molecular Formula:
C10H10N4O2S
Molecular Weight:
250.2770
IUPAC Name:
1-(1,3-benzothiazol-2-yl)-1,3-dimethyl-3-nitrosourea
InChI:
InChI=1S/C10H10N4O2S/c1-13(10(15)14(2)12-16)9-11-7-5-3-4-6-8(7)17-9/h3-6H,1-2H3
InChI Key:
CLDYQZBCDJWAST-UHFFFAOYSA-N
SMILES:
O=NN(C(=O)N(c1nc2c(s1)cccc2)C)C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.276g/mol
Monoisotopic Mass:
250.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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