2-Naphthyl isothiocyanate

CAT: 0127-OR1085160-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1085160-01Size:250 mg

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CAS Number

1636-33-5

Purity

95%

Smiles

N (=C=S) c1cc2c (cc1) cccc2

Chemical Information

2-Naphthylisothiocyanate

CAS Number	1636-33-5
PubChem CID	74222
IUPAC Name	2-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=C(C=CC2=C1)N=C=S

InChI

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

InChIKey

RTMXPNYHPHIDHX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1636-33-5

CID: 74222

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
OR322081-01	1-Naphthyl isothiocyanate
OR322459-01	4-Dimethylamino-1-naphthyl isothiocyanate
OR322503	(S) - (+) -1- (1-Naphthyl) ethyl isothiocyanate
OR1021310	2-Nitrophenyl isothiocyanate
OR2781-01	2-Methoxyethyl isothiocyanate
OR1021318	2-Pentyl isothiocyanate
OR28846-01	2-Chlorophenyl isothiocyanate
PC3721L-01	2-Fluorobenzyl isothiocyanate
OR1021281	2-Furoyl isothiocyanate
OR1021269	2-Chlorobenzoyl isothiocyanate

Catalog	Name
FN09063	1-Naphthyl isothiocyanate
N02790-01	1-Naphthyl Isothiocyanate 97%
sc-272320	(S) - (+) -1- (1-Naphthyl) ethyl isothiocyanate
sc-272140	(R) - (-) -1- (1-Naphthyl) ethyl isothiocyanate
P3384	Phenethyl Isothiocyanate (2-Phenylethyl isothiocyanate)
266922-01	2-Bromoethyl isothiocyanate
267359-01	2-Chloroethyl isothiocyanate
sc-281264	2-Biphenyl isothiocyanate
sc-259983	2-Methoxycarbonylphenyl isothiocyanate
sc-230224D	2-Chlorophenyl isothiocyanate