Basic information
- CAS
2779-58-0- Standard SMILES
NC(N)=NCCN1CCCS(=O)(=O)CC1.O=S(=O)(O)O- InChIKey
OYADRFROPCHBSH-UHFFFAOYSA-N- Molecular formula
- C8H20N4O6S2
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.08242672
Names & identifiers
- Preferred name
- Guanidine, (2-(tetrahydro-1,4-thiazepin-4(5H)-yl)ethyl)-, S,S-dioxide, sulfate
- IUPAC
- 2-[2-(1,1-dioxo-1,4-thiazepan-4-yl)ethyl]guanidine;sulfuric acid
Names & synonyms
(2-(1,1-Dioxohexahydro-1,4-thiazepin-4-yl)ethyl)guanidine sulfateGuanidine, (2-(hexahydro-1,4-thiazepin-4-yl)ethyl)-, S,S-dioxide, sulfateGuanidine, (2-(tetrahydro-1,4-thiazepin-4(5H)-yl)ethyl)-, S,S-dioxide, sulfate2779-58-0DTXSID20182110(2-(Tetrahydro-1,4-thiazepin-4(5H)-yl)ethyl)guanidine S,S-dioxide sulfateRefChem:346731DTXCID30104601Sulfuric acid--N''-[2-(1,1-dioxo-1lambda~6~,4-thiazepan-4-yl)ethyl]guanidine (1/1)
Database identifiers
- CAS
2779-58-0- PubChem CID
- 200823
- DTXSID
DTXSID20182110
Properties
Computed structural properties
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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