Ethyl isothiocyanate

CAT: 0063-90027109-100gSize: 100 gDry Ice: NoHazardous: No

1 / 1

CAT#:0063-90027109-100gSize:100 g

Selected

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

Quick Request Actions

CAS Number

542-85-8

Molecular Formula

C3H5NS

Molecular Weight

87.14

Formulation

C3H5NS

Chemical Information

Ethyl isothiocyanate

Ethyl isothiocyanate is an isothiocyanate having an ethyl group attached to the nitrogen. It has a role as an allergen.

CAS Number	542-85-8
PubChem CID	10966
IUPAC Name	isothiocyanatoethane
Molecular Formula	C3H5NS
Molecular Weight	87.15
XLogP	1.5
Topological Polar Surface Area	44.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	5
Formal Charge	0
Complexity	53

SMILES

CCN=C=S

InChI

InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3

InChIKey

HBNYJWAFDZLWRS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 542-85-8

CID: 10966

Formula: C3H5NS

MW: 87.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	87.15
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	87.01427034
Monoisotopic Mass	87.01427034
Topological Polar Surface Area	44.5 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	53.9
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
12971778-5g	Hexyl isothiocyanate
12971778	Hexyl isothiocyanate
43825432-100mg	5-Fluorescein isothiocyanate isomer I (FITC)
43825432-1g	5-Fluorescein isothiocyanate isomer I (FITC)
43825432-01	5-Fluorescein isothiocyanate isomer I (FITC)
89967149	Ethyl oleate
89967651	Ethyl salicylate
89967002	Ethyl formate
22113352	Ethyl acetoacetate
15000316	Ethyl bromopyruvate

Catalog	Name
E941840	Ethyl Isothiocyanate
E11870-01	Ethyl isothiocyanate 97%
OR322070	2- (4-Chlorophenyl) ethyl isothiocyanate
sc-259808A	2-ethyl-6-methylphenyl isothiocyanate
sc-225079	2- (4-Morpholino) ethyl isothiocyanate
P296101	2-Phenyl-d5-ethyl Isothiocyanate
sc-272143	(R) - (-) -1- (4-Chlorophenyl) ethyl isothiocyanate
sc-265211	2- (3,4-Dimethoxyphenyl) ethyl isothiocyanate
sc-272142	(R) - (-) -1- (4-Bromophenyl) ethyl isothiocyanate
sc-272145	(R) - (-) -1- (4-Methoxyphenyl) ethyl isothiocyanate