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87894-06-2 | 1,2,3-Thiadiazole, 5-(diazomethyl)-4-phenyl-
CAS No: 87894-06-2 Catalog No: AG004E3S MDL No:
Product Description
Catalog Number:
AG004E3S
Chemical Name:
1,2,3-Thiadiazole, 5-(diazomethyl)-4-phenyl-
CAS Number:
87894-06-2
Molecular Formula:
C9H6N4S
Molecular Weight:
202.2357
IUPAC Name:
5-(diazomethyl)-4-phenylthiadiazole
InChI:
InChI=1S/C9H6N4S/c10-11-6-8-9(12-13-14-8)7-4-2-1-3-5-7/h1-6H
InChI Key:
HOFJJUIOCMIYDA-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Cc1snnc1c1ccccc1
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.235g/mol
Monoisotopic Mass:
202.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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