Compound C12H9N9O5S2

1-[2,4-bis(azidosulfonyl)phenyl]-3-pyridin-2-ylurea

CAS: 64690-01-3

Molecular Formula	`C12H9N9O5S2`
Molecular Weight	423.4 g/mol
LogP	3.3
Topological Polar Surface Area	168.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	10
Rotatable Bonds	6
Exact Mass	423.0168
Heavy Atoms	28
Complexity	881.0

Chemical Identifiers

CAS Number	64690-01-3
SMILES	`C1=CC=NC(=C1)NC(=O)NC2=C(C=C(C=C2)S(=O)(=O)N=[N+]=[N-])S(=O)(=O)N=[N+]=[N-]`
InChIKey	`MTVMNRFFDBFAPQ-UHFFFAOYSA-N`

📖 Product Overview

Compound C12H9N9O5S2 (CAS: 64690-01-3) is a chemical compound with molecular formula C12H9N9O5S2 and molecular weight 423.4 g/mol. Its IUPAC systematic name is 1-[2,4-bis(azidosulfonyl)phenyl]-3-pyridin-2-ylurea. LogP 3.3 Topological Polar Surface Area 168.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 10 Rotatable Bonds 6 Exact Mass 423.0168 Heavy Atoms 28 Complexity 881.0 InChI Key: MTVMNRFFDBFAPQ-UHFFFAOYSA-N. SMILES: C1=CC=NC(=C1)NC(=O)NC2=C(C=C(C=C2)S(=O)(=O)N=[N+]=[N-])S(=O)(=O)N=[N+]=[N-].

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