Famotidine Impurity 48

CAT: 1299-RM-F130448-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-F130448-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2169078-41-3

Synonyms

5-amino-3,4-dihydro-2H-1,2,6-thiadiazine 1,1-dioxide

Molecular Formula

C3H7N3O2S

Molecular Weight

149.17

Target Alternative Name

Famotidine

Product Name Synonym

5-amino-3,4-dihydro-2H-1,2,6-thiadiazine 1,1-dioxide

Chemical Information

5-Amino-3,4-dihydro-2H-1,2,6-thiadiazine 1,1-dioxide

CAS Number	2169078-41-3
PubChem CID	20040172
IUPAC Name	1,1-dioxo-3,4-dihydro-2H-1,2,6-thiadiazin-5-amine
Molecular Formula	C3H7N3O2S
Molecular Weight	149.17
XLogP	-1.8
Topological Polar Surface Area	92.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	224

SMILES

C1CNS(=O)(=O)N=C1N

InChI

InChI=1S/C3H7N3O2S/c4-3-1-2-5-9(7,8)6-3/h5H,1-2H2,(H2,4,6)

InChIKey

PPIZMFIUBYYLRB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2169078-41-3

CID: 20040172

Formula: C3H7N3O2S

MW: 149.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	149.17
XLogP3	-1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	149.02589765
Monoisotopic Mass	149.02589765
Topological Polar Surface Area	92.9 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	224
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