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

CAS
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Purity
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CAS
92444-14-9
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM92444149

Product Name

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

Structure

Structure

CAS

92444-14-9

Category

Organic & Printed Electronics

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

Molecular Weight

301.48938

Molecular Formula

C₁₉H₂₇NS

Canonical 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

MSDS

COA

Spec Sheet

Download Spec Sheet

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.

※ Please kindly note that our products are for research use only.

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