1-(trans-4-Hexylcyclohexyl)-4-isothio-

• CAS: 92444-14-9
• Catalog Number: ACM92444149
• Category: Organic & Printed Electronics
• Molecular Weight: 301.48938
• Molecular Formula: C₁₉H₂₇NS
• Synonyms: 1-(TRANS-4-HEXYLCYCLOHEXYL)-4-ISOTHIO-;1-(4-hexyl-cyclohexyl)-4-isothiocyanato-benzene;1-(trans-4-hexylcyclohexyl)-4-isothio-cyanatobenz;6CPS
• IUPAC Name: 1-(4-hexylcyclohexyl)-4-isothiocyanatobenzene
• SMILES: CCCCCCC1CCC(CC1)C2=CC=C(C=C2)N=C=S
• InChI Key: STLICVZWECVJDT-UHFFFAOYSA-N
• Boiling Point: 418.5ºC at 760 mmHg
• Flash Point: 113ºC
• Density: 0.977 g/mL at 25ºC(lit.)
• Exact Mass: 301.18600
• Hazard Statements: Xn
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Safety Description: 23-26-28-36

Custom Q&A

What is the molecular formula of 1-(trans-4-Hexylcyclohexyl)-4-isothio?

The molecular formula is C19H27NS.

What is the molecular weight of 1-(trans-4-Hexylcyclohexyl)-4-isothio?

The molecular weight is 301.5 g/mol.

What is the IUPAC name of 1-(trans-4-Hexylcyclohexyl)-4-isothio?

The IUPAC name is 1-(4-hexylcyclohexyl)-4-isothiocyanatobenzene.

What is the InChI of 1-(trans-4-Hexylcyclohexyl)-4-isothio?

The InChI is InChI=1S/C19H27NS/c1-2-3-4-5-6-16-7-9-17(10-8-16)18-11-13-19(14-12-18)20-15-21/h11-14,16-17H,2-10H2,1H3.

What is the InChIKey of 1-(trans-4-Hexylcyclohexyl)-4-isothio?

The InChIKey is STLICVZWECVJDT-UHFFFAOYSA-N.

What is the canonical SMILES of 1-(trans-4-Hexylcyclohexyl)-4-isothio?

The canonical SMILES is CCCCCCC1CCC(CC1)C2=CC=C(C=C2)N=C=S.

What is the CAS number of 1-(trans-4-Hexylcyclohexyl)-4-isothio?

The CAS number is 92444-14-9.

What is the European Community (EC) number of 1-(trans-4-Hexylcyclohexyl)-4-isothio?

The European Community (EC) number is 624-656-8.

What is the XLogP3-AA value of 1-(trans-4-Hexylcyclohexyl)-4-isothio?

The XLogP3-AA value is 8.8.

Is 1-(trans-4-Hexylcyclohexyl)-4-isothio a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.