Cefoperazone Impurity 8

CAT: 1299-RM-C061734-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C061734-02Size:25 mg

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CAS Number

59032-27-8

Synonyms

Sodium 1H-1,2,3-triazole-5-thiolate

Molecular Formula

C2H2N3NaS

Molecular Weight

123.11

Target Alternative Name

Cefoperazone

Product Name Synonym

Sodium 1H-1,2,3-triazole-5-thiolate

Chemical Information

Sodium 1,2,3-triazole-5-thiolate

CAS Number	59032-27-8
PubChem CID	23685427
IUPAC Name	sodium 2H-triazole-4-thiolate
Molecular Formula	C2H2N3NaS
Molecular Weight	123.11
Topological Polar Surface Area	42.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	52

SMILES

C1=NNN=C1[S-].[Na+]

InChI

InChI=1S/C2H3N3S.Na/c6-2-1-3-5-4-2;/h1H,(H2,3,4,5,6);/q;+1/p-1

InChIKey

HHGMADGROXARPN-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 59032-27-8

CID: 23685427

Formula: C2H2N3NaS

MW: 123.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	123.11
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	122.98671253
Monoisotopic Mass	122.98671253
Topological Polar Surface Area	42.6 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	52.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes