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CAS 106649-96-1 manufacturers and suppliers on PharmaCompass

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CAS 106649-96-1
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 Weight 230.3 g/mol
Molecular Formula C6H10N6S2
XLogP30.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass230.04083669 g/mol
Monoisotopic Mass230.04083669 g/mol
Topological Polar Surface Area181 Ų
Heavy Atom Count14
Formal Charge0
Complexity239
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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