Basic information
- CAS
40481-86-5- Standard SMILES
Cl.Cl.N=C(N)SCCNC(=O)NCCNC(=O)NCCSC(=N)N- InChIKey
OBHHIECOBQVIES-UHFFFAOYSA-N- Molecular formula
- C10H24Cl2N8O2S2
- Average molar mass
- 423.4 g/mol
- Monoisotopic mass
- 422.0840698
Names & identifiers
- Preferred name
- 1,1'-Ethylenebis(3-(2-(amidinothio)ethyl)urea) dihydrochloride
- IUPAC
- 2-[2-(2-carbamimidoylsulfanylethylcarbamoylamino)ethylcarbamoylamino]ethyl carbamimidothioate;dihydrochloride
Names & synonyms
1,1'-Ethylenebis(3-(2-(amidinothio)ethyl)urea) dihydrochloride40481-86-5Pseudourea, 2,2'-ethylenebis((2-(ureylene)ethyl)thio)di-, dihydrochlorideCarbamimidothioic acid, 1,2-ethanediylbis(iminocarbonylimino-2,1-ethanediyl) ester, dihydrochloride9UD676BH4VNSC-521155RefChem:1051610USAF PD-34NSC 521155Urea, 1,1'-ethylenebis(3-(2-(amidino)thio)ethyl-, dihydrochloride1,12-Bis(isothiuronium)-4,9-dioxo-3,5,8,10-tetraazadodecane dichloride2-[2-(2-carbamimidoylsulfanylethylcarbamoylamino)ethylcarbamoylamino]ethylcarbamimidothioate,hydrochloride
Database identifiers
- CAS
40481-86-5- PubChem CID
- 218322
- UNII
- 9UD676BH4V
Properties
Computed structural properties
- Topological polar surface area
- 233 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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