Kekule Pharma

CAS 106649-96-1

Chemistry, 3 End Use API, 7 Related Intermediates

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3 Suppliers

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Also known as: 106649-96-1, 8535iq0676, [2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methyl carbamimidothioate, Carbamimidothioic acid, (2-((aminoiminomethyl)amino)-4-thiazolyl)methyl ester, (2-((diaminomethylene)amino)thiazol-4-yl)methyl carbamimidothioate, Famotidine impurity h [ep]

Molecular Formula

C₆H₁₀N₆S₂

Molecular Weight

230.3 g/mol

InChI Key

QUBHCMPAOWIZMT-UHFFFAOYSA-N

FDA UNII

8535IQ0676

1 2D Structure

CAS 106649-96-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methyl carbamimidothioate

2.1.2 InChI

InChI=1S/C6H10N6S2/c7-4(8)12-6-11-3(2-14-6)1-13-5(9)10/h2H,1H2,(H3,9,10)(H4,7,8,11,12)

2.1.3 InChI Key

QUBHCMPAOWIZMT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(N=C(S1)N=C(N)N)CSC(=N)N

2.2 Other Identifiers

2.2.1 UNII

8535IQ0676

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 106649-96-1

2. 8535iq0676

3. [2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methyl Carbamimidothioate

4. Carbamimidothioic Acid, (2-((aminoiminomethyl)amino)-4-thiazolyl)methyl Ester

5. (2-((diaminomethylene)amino)thiazol-4-yl)methyl Carbamimidothioate

6. Famotidine Impurity H [ep]

7. Unii-8535iq0676

8. Starbld0008947

9. Schembl1903834

10. Schembl10782626

11. Dtxsid50147717

12. Zinc2241666

13. Famotidine Impurity H [ep Impurity]

14. S-[(2-guanidino-4-thiazolyl)methyl]isothiourea

15. S-[(2-guanidino-thiazol-4-yl)methyl]isothiourea

16. Q27269585

2.4 Create Date

2005-07-13

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₀N₆S₂
Molecular Weight	230.3 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	230.04083669 g/mol
Monoisotopic Mass	230.04083669 g/mol
Topological Polar Surface Area	181 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	239
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

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

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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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