Basic information
- CAS
10319-70-7- Standard SMILES
N=C(N)CSS(=O)(=O)O- InChIKey
QRSSTPPWTDEGJW-UHFFFAOYSA-N- Molecular formula
- C2H6N2O3S2
- Average molar mass
- 170.22 g/mol
- Monoisotopic mass
- 169.98198405
Names & identifiers
- Preferred name
- Methanethiol, amidino-, hydrogen thiosulfate
- IUPAC
- 1-amino-1-imino-2-sulfosulfanylethane
- English name
- Thiosulfuric acid hydrogen S-(2-amino-2-iminoethyl) ester
- Molecular formula
- C2H6N2O3S2
- Molecular weight
- 170.21
Names & synonyms
10319-70-7S-(Amidinomethyl) hydrogen thiosulfateMethanethiol, amidino-, hydrogen thiosulfateThiosulfuric acid (H2S2O3), S-(2-amino-2-iminoethyl) esterNSC-187482FCB3V83B4QDTXSID20145689RefChem:1089091DTXCID70681801-amino-1-imino-2-sulfosulfanylethaneWLN: WSQS1YZUMNSC 187482
Show more names
BRN 1938718Acetamidine, 2-mercapto-, hydrogen sulfate (ester)Thiosulfuric acid hydrogen S-(2-amino-2-iminoethyl) esterNSC187482Acetamidine, hydrogen sulfate (ester)S-(2-Amino-2-iminoethyl) hydrogen sulfurothioate
Database identifiers
- CAS
10319-70-7- PubChem CID
- 82542
- DTXSID
DTXSID20145689- UNII
- FCB3V83B4Q
- Nikkaji
- J41.693B
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Density
- 1.484 · 1.484 (estimate)
- refractive index
- 1.655 · 1.6550 (estimate)
- pka
- -4.68 · -4.68±0.30(Predicted)
- FDA UNII
- 3 V83B4Q · FCB3V83B4Q
Chemistry & industry
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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