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87410-87-5 | 1,3,4-Thiadiazol-2-amine, N-methyl-5-[(2-nitrophenyl)methyl]-
CAS No: 87410-87-5 Catalog No: AG004N60 MDL No:
Product Description
Catalog Number:
AG004N60
Chemical Name:
1,3,4-Thiadiazol-2-amine, N-methyl-5-[(2-nitrophenyl)methyl]-
CAS Number:
87410-87-5
Molecular Formula:
C10H10N4O2S
Molecular Weight:
250.2770
IUPAC Name:
N-methyl-5-[(2-nitrophenyl)methyl]-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C10H10N4O2S/c1-11-10-13-12-9(17-10)6-7-4-2-3-5-8(7)14(15)16/h2-5H,6H2,1H3,(H,11,13)
InChI Key:
CIQXQMQNAADENI-UHFFFAOYSA-N
SMILES:
CNc1nnc(s1)Cc1ccccc1[N+](=O)[O-]
Properties
Complexity:
274
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:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.276g/mol
Monoisotopic Mass:
250.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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