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199182-39-3 | 1H-Pyrrolo[2,3-c][1,2,5]thiadiazole (9CI)
CAS No: 199182-39-3 Catalog No: AG002BYP MDL No:
Product Description
Catalog Number:
AG002BYP
Chemical Name:
1H-Pyrrolo[2,3-c][1,2,5]thiadiazole (9CI)
CAS Number:
199182-39-3
Molecular Formula:
C4H3N3S
Molecular Weight:
125.1517
IUPAC Name:
4H-pyrrolo[2,3-c][1,2,5]thiadiazole
InChI:
InChI=1S/C4H3N3S/c1-2-5-4-3(1)6-8-7-4/h1-2H,(H,5,7)
InChI Key:
MHAHLTQOIPAZRR-UHFFFAOYSA-N
SMILES:
c1nc2c(c1)[nH]sn2
Properties
Complexity:
97.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.005g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
125.149g/mol
Monoisotopic Mass:
125.005g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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