1-Naphthyl isothiocyanate

CAT: 0926-FN09063Size: 25 gDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FN09063Size:25 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

551-06-4

MDL Number

MFCD00003882

Smiles

C1=CC=C2C (=C1) C=CC=C2N=C=S

Molecular Formula

C11H7NS

Molecular Weight

185.25 g/mol

Controlled

Chemical Information

1-Naphthyl Isothiocyanate

1-naphthyl isothiocyanate is an isothiocyanate. It has a role as an insecticide. It derives from a hydride of a naphthalene.

CAS Number	551-06-4
PubChem CID	11080
IUPAC Name	1-isothiocyanatonaphthalene
Molecular Formula	C11H7NS
Molecular Weight	185.25
XLogP	4.3
Topological Polar Surface Area	44.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	220

SMILES

C1=CC=C2C(=C1)C=CC=C2N=C=S

InChI

InChI=1S/C11H7NS/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H

InChIKey

JBDOSUUXMYMWQH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 551-06-4

CID: 11080

Formula: C11H7NS

MW: 185.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	185.25
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	185.02992040
Monoisotopic Mass	185.02992040
Topological Polar Surface Area	44.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	220
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
FA66612-01	1-Adamantyl isothiocyanate
FN170186-01	1-Naphthyl phosphate
FN00228-01	1-Naphthyl acetate
FN54851-01	1- (2-Naphthyl) ethanol
AAA64229	1-Naphthyl phenyl ketone
EN05124-01	1-Naphthyl a-D-galactopyranoside
CAA93663-01	Alpha- (1-Naphthyl) benzylamine
ECA97999-01	Adamantane-1-carbonyl isothiocyanate
EN05125-01	1-Naphthyl a-D-glucopyranoside
EN15504-01	1-Naphthyl β-D-glucuronide

Catalog	Name
OR322081-01	1-Naphthyl isothiocyanate
N02790-01	1-Naphthyl Isothiocyanate 97%
OR1085160-01	2-Naphthyl isothiocyanate
OR322459-01	4-Dimethylamino-1-naphthyl isothiocyanate
OR322503	(S) - (+) -1- (1-Naphthyl) ethyl isothiocyanate
sc-272140	(R) - (-) -1- (1-Naphthyl) ethyl isothiocyanate
sc-273338	1-Heptyl isothiocyanate
sc-222652	1-Adamantyl isothiocyanate
sc-273422	1-Nonyl isothiocyanate
sc-282179A	1-Naphthalenemethyl isothiocyanate