Basic information
- CAS
63469-10-3- Standard SMILES
CC(C)CCCC(C)C1CCC2C3CC=C4CC(SC(=N)N)CCC4(C)C3CCC12C.Cc1ccc(S(=O)(=O)O)cc1- InChIKey
DPHWECFLLPULBR-UHFFFAOYSA-N- Molecular formula
- C35H56N2O3S2
- Average molar mass
- 617 g/mol
- Monoisotopic mass
- 616.373236
Names & identifiers
- Preferred name
- 4-Methylbenzene-1-sulfonic acid--cholest-5-en-3-yl carbamimidothioate (1/1)
- IUPAC
- [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbamimidothioate;4-methylbenzenesulfonic acid
Names & synonyms
NSC73105DTXSID20979704NSC-731054-Methylbenzene-1-sulfonic acid--cholest-5-en-3-yl carbamimidothioate (1/1)
Database identifiers
- CAS
63469-10-3- PubChem CID
- 252012
- DTXSID
DTXSID20979704
Properties
Computed structural properties
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 905
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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