Cefazolin Impurity 43

CAT: 1596-AR-C06521-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C06521-06Size:250 Units

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CAS Number

66666-63-5

Molecular Formula

C6H6N4S4

Molecular Weight

262.38

API Name

Cefazolin

Chemical Information

2-Methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)disulfanyl]-1,3,4-thiadiazole

CAS Number	66666-63-5
PubChem CID	5232999
IUPAC Name	2-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)disulfanyl]-1,3,4-thiadiazole
Molecular Formula	C6H6N4S4
Molecular Weight	262.4
XLogP	2.4
Topological Polar Surface Area	159
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	175

SMILES

CC1=NN=C(S1)SSC2=NN=C(S2)C

InChI

InChI=1S/C6H6N4S4/c1-3-7-9-5(11-3)13-14-6-10-8-4(2)12-6/h1-2H3

InChIKey

CFDOAGIWWJVBSV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 66666-63-5

CID: 5232999

Formula: C6H6N4S4

MW: 262.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	262.4
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	261.94753090
Monoisotopic Mass	261.94753090
Topological Polar Surface Area	159 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	175
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	1
Compound Is Canonicalized	Yes