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Fadyn

CAS: 76824-35-6 | C8H15N7O2S3

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 76824-35-6
Molecular Formula: C8H15N7O2S3
Molecular Weight: 337.4560000000001 g/mol

Names and Synonyms:

Fadyn
Cepal
Farmotex
Famotidine
Motiax
Ulcetrax
Ganor
Ulfamid
Famodil
Famoxal
Nulcerin
Amfamox
Pepcidina
Pepcidine
Dispromil
Lecedil
Pepcid
Pepdine
Fanosin
Fibonel
Famosan
Peptan
Gastropen
Muclox
Pepcid PM
Pepdul
Ifada
Famodine
Pepcid AC
Pepdul mite
Ganor mite
Nevofam
Famogast
Fadine
Ulcatif
Famopsin
Sedanium R
Apogastine
H 2 Bloc
Supertidine
Tamin
Famodar
Famox
Quamatel
Digervin
FamoABZ
Quamtel
Ulped
Ulcedine
Ulcidine
Fuweidin
Mosul
Ulceran
Apo-Famotidine
Purifam
Famo
Logos
Peptifam
Fenox
Famonerton
Famos
Gastro
Durater
Panalba
Famodin
Gastrodomina
Restadin
Pepfamin
Dispronil
Ulfagel
Weimok
Pepcidin
Fudone
Fagastine
Famowal
Famotin
Famotal
Gastrion
Fanox
Topcid
Ulped AR
Ulcofam
Fadin
Bestidine
Pepzan
Kemofam
Brolin
Famotep
Pepdif
Ulfam
Dibrit 40
Rogasti
Pepcidin Rapitab
Agufam
Antodine
Famogard
Facid
Famocid
Famostagine-D
Servipep
Peptec
Famolta
Famoser
Mabo
3-[[2-(Diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N′-sulfamoylpropanimidamide
3-[([2-[(Diaminomethylidene)amino]-1,3-thiazol-4-yl]methyl)sulfanyl]-N-sulfamoylpropanimidamide
Propanimidamide, 3-[[[2-[(aminoiminomethyl)amino]-4-thiazolyl]methyl]thio]-N-(aminosulfonyl)-
3-[[[2-[(Aminoiminomethyl)amino]-4-thiazolyl]methyl]thio]-N-(aminosulfonyl)propanimidamide
YM 11170
3-[(2-Diaminomethyleneaminothiazol-4-yl)methylthio]-N-sulfamoylpropionamidine
Famotidine
MK 208
N-(Aminosulfonyl)-3-[[[2-[(diaminomethylene)amino]-4-thiazolyl]methyl]thio]propanimidamide
Gaster
Gastridin
Ulfinol

Identifiers:

SMILES:
N=C(N)Nc1nc(CSCCC(=N)NS(N)(=O)=O)cs1
InChI:
InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 337.46 g/mol Legacy Database
cas-canonical-smile O=S(=O)(N)NC(=N)CCSCC=1N=C(SC1)NC(=N)N None Legacy Database
cas-inchi InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14) None Legacy Database
cas-inchi-key InChIKey=XUFQPHANEAPEMJ-UHFFFAOYSA-N None Legacy Database
cas-melting-point 163-164 °C None Legacy Database
cas-name Famotidine None Legacy Database
LogP -0.15785999999999956 RDKit

Molecular

Property Value Source
Molecular Weight 337.4560000000001 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 337.04493571999996 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 20 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 7 count RDKit
Hydrogen Bond Donors 6 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 7 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 1 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 170.83 Ų RDKit

Molar

Property Value Source
Molar Refractivity 82.3994 RDKit

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