CAS 69014-12-6

1 2D Structure

CAS 69014-12-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[4-(chloromethyl)-1,3-thiazol-2-yl]guanidine;hydrochloride

2.1.2 InChI

InChI=1S/C5H7ClN4S.ClH/c6-1-3-2-11-5(9-3)10-4(7)8;/h2H,1H2,(H4,7,8,9,10);1H

2.1.3 InChI Key

HPXWWLGOFMSKHV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(N=C(S1)N=C(N)N)CCl.Cl

2.2 Other Identifiers

2.2.1 UNII

83RK593LL9

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 69014-12-6

2. 1-(4-chloromethyl-2-thiazoyl)guanidine Hydrochloride Salt

3. 2-[4-(chloromethyl)-1,3-thiazol-2-yl]guanidine;hydrochloride

4. 1-(4-chloromethyl-2-thiazoyl)guanidine-13c3hydrochloridesalt

5. N-((4-chloromethyl)-2-thiozolyl)guanidine Hcl

6. Schembl6512719

7. Schembl8934520

8. 1-(4-(chloromethyl)thiazol-2-yl)guanidine Hydrochloride

9. 83rk593ll9

10. N-[4-(chloromethyl)-2-thiazolyl]guanidine Hydrochloride

11. 2-guanidino-4-chloromethylthiazole Hcl

12. Bs-18964

13. 2-(chloromethyl)thiazole-2yl Guanidine Hcl

14. Ft-0664821

15. 4-chloromethyl-2-guanidinothiazole Hydrochloride

16. [4-(chloromethyl)-2-thiazolyl]guanidine Mono Hydrochloride

17. Guanidine, [4-(chloromethyl)-2-thiazolyl]-, Monohydrochloride

18. Guanidine, N-[4-(chloromethyl)-2-thiazolyl]-, Hydrochloride (1:1)

19. N''-[4-(chloromethyl)-1,3-thiazol-2-yl]guanidine Hydrochloride

2.4 Create Date

2007-02-12

3 Chemical and Physical Properties

Molecular Formula	C₅H₈Cl₂N₄S
Molecular Weight	227.11 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	106
Heavy Atom Count	12
Formal Charge	0
Complexity	159
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	2

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