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CAS No.: | 61336-49-0 |
---|---|
Name: | SODIUM 2-(5-SULFIDO-1H-TETRAZOL-1-YL)ACETATE |
Molecular Structure: | |
Formula: | C3H4 N4 O2 S . 2 Na |
Molecular Weight: | 204.1181 |
Synonyms: | 1H-Tetrazole-1-aceticacid, 2,5-dihydro-5-thioxo-, disodium salt (9CI) |
EINECS: | 262-711-4 |
Boiling Point: | 425 °C at 760 mmHg |
Flash Point: | 210.8 °C |
PSA: | 83.73000 |
LogP: | -2.67120 |
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IUPAC Name: Disodium 2-(5-sulfidotetrazol-1-yl)acetate
Canonical SMILES: C(C(=O)[O-])N1C(=NN=N1)[S-].[Na+].[Na+]
InChI: InChI=1S/C3H4N4O2S.2Na/c8-2(9)1-7-3(10)4-5-6-7;;/h1H2,(H,8,9)(H,4,6,10);;/q;2*+1/p-2
InChIKey: VSGXNBCISIILEO-UHFFFAOYSA-L
Molecular Weight: 204.11812 [g/mol]
Molecular Formula: C3H2N4Na2O2S
H-Bond Donor: 0
H-Bond Acceptor: 6
Rotatable Bond Count: 1
Exact Mass: 203.969385
MonoIsotopic Mass: 203.969385
Topological Polar Surface Area: 83.7
Heavy Atom Count: 12
Complexity: 137
EINECS: 262-711-4
Flash Point: 210.8 °C
Enthalpy of Vaporization: 71.64 kJ/mol
Boiling Point: 425 °C at 760 mmHg
Vapour Pressure of Sodium 2-(5-sulfido-1H-tetrazol-1-yl)acetate (CAS NO.61336-49-0): 5.58E-08 mmHg at 25 °C
Sodium 2-(5-sulfido-1H-tetrazol-1-yl)acetate (CAS NO.61336-49-0), its Synonyms are Disodium 5-sulphido-1H-tetrazole-1-acetate ; 1H-Tetrazole-1-acetic acid, 5-mercapto-, sodium salt (1:2) ; Disodium (5-sulfido-1H-tetrazol-1-yl)acetate .