Tropeolin
Properties
- Molecular formula
- C8H7NS
- Molar mass
- 149.21 g/mol
- Exact mass
- 149.0299 Da
- Melting point
- 43 °C
- Boiling point
- 232 °C
- logP
- 2.40Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin97.8% of notifiers
- H332 Harmful if inhaled100% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501
Identifiers
CAS number
3012-37-1SMILES
N#CSCc1ccccc1InChIKey
ABNDFSOIUFLJAH-UHFFFAOYSA-NInChI
InChI=1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Thiocyanic acid, phenylmethyl ester
- Thiocyanic acid, benzyl ester
- Benzyl thiocyanate
- Solvat 14
- α-Thiocyanatotoluene
- NSC 130266
- NSC 1729
- (Thiocyanatomethyl)benzene
Work with Tropeolin
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Dibenzyl disulfide150-60-752 % similar
Dibenzyl sulfide538-74-952 % similar
(4-Nitrophenyl)methyl thiocyanate13287-49-552 % similar
Benzyl methyl sulfide766-92-746 % similar
Benzyl phenyl sulfide831-91-446 % similar
Benzyl methyl disulfide699-10-543 % similar
Benzyl cyanide140-29-442 % similar
Benzyl trifluoromethyl sulfide351-60-041 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.