Basic information
- CAS
20268-38-6- Standard SMILES
c1ccc(CSC2=NCCN2)cc1- InChIKey
UMIMRBZSSFFXQV-UHFFFAOYSA-N- Molecular formula
- C10H12N2S
- Average molar mass
- 192.28 g/mol
- Monoisotopic mass
- 192.07211956
Names & identifiers
- Preferred name
- 2-Benzylsulfanyl-4,5-dihydro-1H-imidazole
- IUPAC
- 2-benzylsulfanyl-4,5-dihydro-1H-imidazole
- English name
- 4,5-Dihydro-2-((phenylmethyl)thio)-(1H)imidazole
- Molecular formula
- C10H12N2S
- Molecular weight
- 192.28
Names & synonyms
20268-38-62-benzylsulfanyl-4,5-dihydro-1H-imidazoleDTXSID10328383RefChem:256630DTXCID402794902-(benzylsulfanyl)-4,5-dihydro-1H-imidazole2-(benzylthio)-4,5-dihydro-1H-imidazole4,5-dihydro-2-((phenylmethyl)thio)-(1h)imidazole2-benzylthioimidazolineMaybridge1_0033954,5-DIHYDRO-2-(BENZYLTHIO)-1H-IMIDAZOLESCHEMBL3163430
Show more names
1H-Imidazole, 4,5-dihydro-2-[(phenylmethyl)thio]-
UMIMRBZSSFFXQV-UHFFFAOYSA-N2-(phenylmethylthio)-2-imidazolineSBB091490AKOS0052081742-benzylthio-4,5-dihydro-1H-imidazoleCS-0270105benzyl 4,5-dihydro-1H-imidazol-2-yl sulfideEN300-241690
Database identifiers
- CAS
20268-38-6- PubChem CID
- 409780
- DTXSID
DTXSID10328383
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Melting point
- 68 · 68-70 °C
- Boiling point
- 317.7 · 317.7±35.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 8.85 · 8.85±0.40(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
SPECS[email protected]
Service Chemical Inc.[email protected]
Related reactions
2 records
Compound notes
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