Cimetidine sulfoxide

1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfinyl]ethyl]guanidine

CAS: 54237-72-8

Molecular Formula	`C10H16N6OS`
Molecular Weight	268.34 g/mol
LogP	-1.1
Topological Polar Surface Area	125.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	268.11063
Heavy Atoms	18
Complexity	363.0

Chemical Identifiers

CAS Number	54237-72-8
SMILES	`CC1=C(N=CN1)CS(=O)CCNC(=NC)NC#N`
InChIKey	`HOJLJLYVNQFCRE-UHFFFAOYSA-N`

📖 Product Overview

Cimetidine sulfoxide (CAS: 54237-72-8) is a chemical compound with molecular formula C10H16N6OS and molecular weight 268.34 g/mol. Its IUPAC systematic name is 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfinyl]ethyl]guanidine. LogP -1.1 Topological Polar Surface Area 125.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 5 Rotatable Bonds 7 Exact Mass 268.11063 Heavy Atoms 18 Complexity 363.0 InChI Key: HOJLJLYVNQFCRE-UHFFFAOYSA-N. SMILES: CC1=C(N=CN1)CS(=O)CCNC(=NC)NC#N.

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