Basic information
- CAS
28334-88-5- Standard SMILES
[C-]#[N+]c1cc(C)ccc1Sc1ccc(C(C)(C)C)cc1- InChIKey
NZMGYAOFTMGRSU-UHFFFAOYSA-N- Molecular formula
- C18H19NS
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.12382078
Names & identifiers
- Preferred name
- (4-(Tert-butyl)phenyl)(2-isocyano-4-methylphenyl)sulfane
- IUPAC
- 1-(4-tert-butylphenyl)sulfanyl-2-isocyano-4-methylbenzene
- English name
- 1-[(4-tert-Butylphenyl)thio]-2-isocyano-4-methylbenzene
- Molecular weight
- 0
Names & synonyms
28334-88-5(4-(tert-butyl)phenyl)(2-isocyano-4-methylphenyl)sulfane1-[[4-(1,1-Dimethylethyl)phenyl]thio]-2-isocyano-4-methylbenzene1-[(4-tert-Butylphenyl)thio]-2-isocyano-4-methylbenzene1-[(4-tert-butylphenyl)sulfanyl]-2-isocyano-4-methylbenzeneDTXSID601169940BAY-80530Bayer-80530
Database identifiers
- CAS
28334-88-5- PubChem CID
- 71436635
- DTXSID
DTXSID601169940- Nikkaji
- J22.561D
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 29.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 353
Chemistry & industry
Suppliers1 total
台州南峰药物研究所[email protected] 13127117265 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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