Pseudourea, 2,2'-(oxydimethylene)bis(2-thio-, dihydrochloride
Basic information
- CAS
40387-52-8- Standard SMILES
Cl.Cl.N=C(N)SCOCSC(=N)N- InChIKey
ZLNGCDYVUCJQRU-UHFFFAOYSA-N- Molecular formula
- C4H12Cl2N4OS2
- Average molar mass
- 267.2 g/mol
- Monoisotopic mass
- 265.9829588
Names & identifiers
- Preferred name
- Pseudourea, 2,2'-(oxydimethylene)bis(2-thio-, dihydrochloride
- IUPAC
- carbamimidoylsulfanylmethoxymethyl carbamimidothioate;dihydrochloride
Names & synonyms
Pseudourea, 2,2'-(oxydimethylene)bis(2-thio-, dihydrochloride40387-52-8Di(S,2-isothiuroniumethyl) ether dichlorideCarbamimidothioic acid, oxybis(methylene) ester, dihydrochloride2,2'-(Oxydimethylene)bis(2-thiopseudourea) dihydrochlorideDTXSID70193377RefChem:375691DTXCID80115868Oxybis(methylene) dicarbamimidothioate--hydrogen chloride (1/2)
Database identifiers
- CAS
40387-52-8- PubChem CID
- 218210
- DTXSID
DTXSID70193377
Properties
Computed structural properties
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 135
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Compound notes
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