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CAS 106649-95-0

CAS 106649-95-0

Chemistry, 4 End Use API, 6 Related Intermediates

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CAS 106649-95-0

Also known as: 106492-70-0, N-sulphamyl-3-chloropropioamidine, 3-chloro-n'-sulfamoylpropanimidamide, Schembl17726960, Akos006294949, Akos024367245

Molecular Formula

C₃H₈ClN₃O₂S

Molecular Weight

185.63 g/mol

InChI Key

QZFCNUHDVLMXDA-UHFFFAOYSA-N

1 2D Structure

CAS 106649-95-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-chloro-N'-sulfamoylpropanimidamide

2.1.2 InChI

InChI=1S/C3H8ClN3O2S/c4-2-1-3(5)7-10(6,8)9/h1-2H2,(H2,5,7)(H2,6,8,9)

2.1.3 InChI Key

QZFCNUHDVLMXDA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(CCl)C(=NS(=O)(=O)N)N

2.1.5 Isomeric SMILES

C(CCl)/C(=N/S(=O)(=O)N)/N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 106492-70-0

2. N-sulphamyl-3-chloropropioamidine

3. 3-chloro-n'-sulfamoylpropanimidamide

4. Schembl17726960

5. Akos006294949

6. Akos024367245

7. 92c700

8. A911256

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₃H₈ClN₃O₂S
Molecular Weight	185.63 g/mol
XLogP3	-1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	185.0025754 g/mol
Monoisotopic Mass	185.0025754 g/mol
Topological Polar Surface Area	107 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	216
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Kekule Pharma

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India

Digital Content

N-[4-(cyanoethylthiomethyl)-2-thiazolyl]guanidine

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URL Supplier Web Content

CAS Number

76823-93-3

End Use API

Famotidine

About the Company

Founded in 1986, Kekule has developed from a manufacturer of few molecules to a preferred vendor for many...

Founded in 1986, Kekule has developed from a manufacturer of few molecules to a preferred vendor for many complex molecules requiring multistage synthesis. Working with customers across the world, Kekule has always leveraged its strengths in basic chemistry as well as chemical engineering to deliver high quality APIs and Intermediates in time and at competitive prices. Our value based approach to business has been a foundation for a mutually beneficial long term relationship with our customers. Our employees, technology and infrastructure match the highest international standards.

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