Products for Research Use Only
RegisterLogin

2-ethylphenyl isothiocyanate

CAT: 0127-OR28911-01Size: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-OR28911-01Size:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
19241-19-1
MDL Number
MFCD00041066
Purity
98%
Smiles
CCc1ccccc1N=C=S

Chemical Information

2-Ethylphenyl isothiocyanate
CAS Number19241-19-1
PubChem CID2796213
IUPAC Name1-ethyl-2-isothiocyanatobenzene
Molecular FormulaC9H9NS
Molecular Weight163.24
XLogP4.1
Topological Polar Surface Area44.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity161
SMILES
CCC1=CC=CC=C1N=C=S
InChI
InChI=1S/C9H9NS/c1-2-8-5-3-4-6-9(8)10-7-11/h3-6H,2H2,1H3
InChIKey
OVAFDUCMHLFDIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethylphenyl isothiocyanate
CAS: 19241-19-1
CID: 2796213
Formula: C9H9NS
MW: 163.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.24
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass163.04557046
Monoisotopic Mass163.04557046
Topological Polar Surface Area44.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity161
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
OR10214973-Ethylphenyl isothiocyanate
OR1085722-01(2-ethylphenyl) trimethylsilane
OR1055842-01(2-Ethylphenyl) diphenylphosphane
OR925112-012-Ethylphenyl isocyanate
OR1087978(2-Ethylphenyl) phenylmethanone
OR80988-012- (2-Ethylphenyl) acetonitrile
OR111085-012- (2-Ethylphenyl) hydrazinecarbothioamide
OR1085160-012-Naphthyl isothiocyanate
OR10213182-Pentyl isothiocyanate
OR10213102-Nitrophenyl isothiocyanate

Alternative Products

CatalogName
sc-2253532-Ethylphenyl isothiocyanate
sc-2266344-Ethylphenyl isothiocyanate
P3384Phenethyl Isothiocyanate (2-Phenylethyl isothiocyanate)
266922-012-Bromoethyl isothiocyanate
267359-012-Chloroethyl isothiocyanate
sc-2812642-Biphenyl isothiocyanate
sc-2599832-Methoxycarbonylphenyl isothiocyanate
sc-230224D2-Chlorophenyl isothiocyanate
sc-2303492-Fluorophenyl isothiocyanate
sc-352234A2-Iodophenyl isothiocyanate

Popular Products