BM 11
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Basic information
- CAS
137783-15-4- Standard SMILES
O=S(=O)(NC(=S)NC1CCCCC1)c1cnccc1NC1CCCCCC1- InChIKey
FIIQKQAZIRPFIC-UHFFFAOYSA-N- Molecular formula
- C19H30N4O2S2
- Average molar mass
- 410.6 g/mol
- Monoisotopic mass
- 410.18101856
Overview
structure given in first source
Names & identifiers
- Preferred name
- BM 11
- IUPAC
- 1-[[4-(cycloheptylamino)-3-pyridinyl]sulfonyl]-3-cyclohexylthiourea
- English name
- BM 11
- Molecular formula
- C19H30N4O2S2
- Molecular weight
- 410.6
Names & synonyms
137783-15-4BM 11BM-11DTXSID10160306RefChem:120670DTXCID40827971-[4-(cycloheptylamino)pyridin-3-yl]sulfonyl-3-cyclohexylthioureaFIIQKQAZIRPFIC-UHFFFAOYSA-NSCHEMBL9366624SCHEMBL29355733N-((4-(cycloheptylamino)pyrid-3-yl)sulfonyl)-N'-cyclohexylthioureaN-((4-Cycloheptylamino-3-pyridyl)sulfonyl)-N'-(cyclohexyl)thiourea
Show more names
4-(Cycloheptylamino)-N-(cyclohexylcarbamothioyl)pyridine-3-sulfonamide3-Pyridinesulfonamide, 4-(cycloheptylamino)-N-((cyclohexylamino)thioxomethyl)-
Database identifiers
- CAS
137783-15-4- PubChem CID
- 3036083
- DTXSID
DTXSID10160306- Nikkaji
- J523.216C
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 565
Experimental & physicochemical properties
LogP1.81
Physicochemical properties
- Boiling point
- 589 · 589.0±60.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- -4.11 · -4.11±0.40(Predicted)
Related reactions
2 records
Compound notes
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