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| CAS No.: | 88046-01-9 |
|---|---|
| Name: | (S)-((2-Guanidino-4-thiazolyl)methylisothiourea dihydrochloride |
| Molecular Structure: | |
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| Formula: | C6H10N6S2.2(HCl) |
| Molecular Weight: | 303.23 |
| Synonyms: | S-[(2-Guanidino-4-thiazolyl)methyl]isothiourea dihydrochloride;N-[4-(Aminoiminomethyl)Thiomethyl-2-Thiazolyl]Guanidine Dihydrochloride;N"-[4-(Aminoiminomethyl)thiomethyl-2-thiazolyl]guanidine2HCl;Carbamimidothioic acid(2-aminoiminomethyl)amino)-4-Thiazolyl)methyl ester;Carbamimidothioic acid [2-[(aminoiminomethyl)amino]-4-thiazolyl]methyl ester dihydrochloride;N-(4-(((AMINOIMINOMETHYL)THIO)METHYL)-2-THIAZOLYL)GUANIDINE;S-[(2-Guanidino-4-thiazolyl)methyl]isothiourea 2HCl |
| EINECS: | 618-106-6 |
| Boiling Point: | 487.3 °C at 760 mmHg |
| Flash Point: | 248.5 °C |
| PSA: | 178.20000 |
| LogP: | 3.05020 |
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Chemistry
Systematic Name: {2-[(Diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl carbamimidothioate dihydrochloride
Synonyms of (S)-((2-Guanidino-4-thiazolyl)methylisothiourea dihydrochloride (CAS NO.88046-01-9): Carbamimidothioic acid [2-[(aminoiminomethyl)amino]-4-thiazolyl]methyl ester dihydrochloride
CAS NO: 88046-01-9
Molecular Formula: C6H10N6S2.2(HCl)
Molecular Weight: 303.23
Molecular Structure: 
H bond acceptors: 6
H bond donors: 7
Freely Rotating Bonds: 4
Polar Surface Area: 100.87 Å2
Flash Point: 248.5 °C
Enthalpy of Vaporization: 75.32 kJ/mol
Boiling Point: 487.3 °C at 760 mmHg
Vapour Pressure: 1.2E-09 mmHg at 25°C
SMILES: Cl.Cl.N(=C(/N)N)\c1nc(cs1)CSC(=[N@H])N
InChI: InChI=1/C6H10N6S2.2ClH/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*1H
InChIKey: FTKAAVQOOXXUGW-UHFFFAOYAI
Std. InChI: InChI=1S/C6H10N6S2.2ClH/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*1H
Std. InChIKey: FTKAAVQOOXXUGW-UHFFFAOYSA-N