1-Cyclopropyl-4-isothiocyanatonaphthalene

C₁₄H₁₁NSCAS 878671-95-5225.31 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₁NS
Molar mass: 225.31 g/mol
Exact mass: 225.0612 Da
logP: 4.45Crippen estimate
Polar surface area: 12.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

878671-95-5

SMILES

C1CC1C2=CC=C(C3=CC=CC=C23)N=C=S

InChIKey

CCPTWMNSFHCZPB-UHFFFAOYSA-N

InChI

InChI=1S/C14H11NS/c16-9-15-14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-8,10H,5-6H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Naphthalene, 1-cyclopropyl-4-isothiocyanato-

Work with 1-Cyclopropyl-4-isothiocyanatonaphthalene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Isothiocyanato-N,N-dimethyl-1-naphthalenamine29711-79-355 % similar 1-Naphthyl isothiocyanate551-06-450 % similar 2-Isopropylphenyl isothiocyanate36176-31-544 % similar 4-Cyclopropylnaphthalen-1-amine hydrochloride1533519-92-443 % similar 1-Cyclopropylnaphthalene25033-19-642 % similar 1-Bromo-2-isothiocyanatobenzene13037-60-041 % similar 1-Ethyl-2-isothiocyanatobenzene19241-19-140 % similar 2-Chlorophenyl isothiocyanate2740-81-039 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Benzhydryl isothiocyanate3550-21-8 2-Methyl-5-phenylbenzothiazole71215-89-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook