Trityl isothiocyanate

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CAS Number

1726-94-9

Purity

=95%

Smiles

S=C=NC(c1ccccc1)(c2ccccc2)c3ccccc3

Chemical Information

Trityl isothiocyanate

CAS Number	1726-94-9
PubChem CID	137175
IUPAC Name	[isothiocyanato(diphenyl)methyl]benzene
Molecular Formula	C20H15NS
Molecular Weight	301.4
XLogP	7
Topological Polar Surface Area	44.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	335

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N=C=S

InChI

InChI=1S/C20H15NS/c22-16-21-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H

InChIKey

ZPZHAUXTGFNYTN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1726-94-9

CID: 137175

Formula: C20H15NS

MW: 301.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	301.4
XLogP3	7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	301.09252066
Monoisotopic Mass	301.09252066
Topological Polar Surface Area	44.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	335
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR28438	Ccycloheptyl isothiocyanate
OR1022152-01	Heptyl isothiocyanate
BUP16721-01	Benzyl isothiocyanate
OR30127-01	Cyclopropyl isothiocyanate
BIE3007	Erythrosin isothiocyanate
OR30307-01	Propyl isothiocyanate
OR1022027	Cyclooctyl isothiocyanate
OR30310-01	Hexyl isothiocyanate
OR1077690	Ethyl Isothiocyanate
OR28695-01	Phenyl isothiocyanate

Catalog	Name
sc-229661	Trityl isothiocyanate
sc-219263	N-Trityl Candesartan Trityl Ester
P3384	Phenethyl Isothiocyanate (2-Phenylethyl isothiocyanate)
RM-C192040-01	Candesartan Trityl Ester N1-Trityl Analog
MBS6117965-01	Trityl Chloride
M35878-01	Trityl candesartan
C5554-10	Thienyldecyl Isothiocyanate
40600040-1	Fluorescein Isothiocyanate
GDA54216	Cycloheptyl isothiocyanate
CCA39566	Cyclohexylmethyl isothiocyanate