Ethyl thiocyanate

CAT: 0024-sc-235070Size: 25 gDry Ice: NoHazardous: No

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CAS Number

542-90-5

Chemical Information

Ethyl thiocyanate

Ethylthiocyanate is a liquid. Used as an agricultural insecticide. (EPA, 1998)

CAS Number	542-90-5
PubChem CID	10968
IUPAC Name	ethyl thiocyanate
Molecular Formula	C3H5NS
Molecular Weight	87.15
XLogP	1.3
Topological Polar Surface Area	49.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	5
Formal Charge	0
Complexity	51

SMILES

CCSC#N

InChI

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

InChIKey

WFCLYEAZTHWNEH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 542-90-5

CID: 10968

Formula: C3H5NS

MW: 87.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	87.15
XLogP3	1.3
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	49.1 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	51.2
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
sc-237549	1-Ethyl-3-methylimidazolium thiocyanate
sc-348676A	4-[ (chloroacetyl) amino]-3-ethyl-5-methylphenyl thiocyanate
sc-348676	4-[ (chloroacetyl) amino]-3-ethyl-5-methylphenyl thiocyanate
sc-203407	Sodium thiocyanate
sc-269957	Nickel thiocyanate
sc-203366A	Potassium thiocyanate
sc-204643A	Benzyl thiocyanate
sc-227290	Barium thiocyanate
sc-327922	Hexyl thiocyanate
sc-205680A	Erythromycin Thiocyanate

Catalog	Name
E15040	Ethyl thiocyanate 97%
TRC-P286330-500MG	2-(Perfluorohexyl)ethyl Thiocyanate
414356-01	2- (Perfluorohexyl) ethyl Thiocyanate
IL-0007-HP-BULK	1-Ethyl-3-methylimidazolium thiocyanate
SB0897	Sodium thiocyanate
GB0244	Guanidine thiocyanate
FM171842-01	Methylamine thiocyanate
TYD-01372-01	Tetrabutylammonium thiocyanate
300978	Sinapine thiocyanate
GK3645-1kg	Ammonium thiocyanate