Etomidate Impurity 18

CAT: 1299-RM-E201318-02Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-E201318-02Size:25 mg

Selected

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

Quick Request Actions

CAS Number

112421-33-7

Synonyms

Ethyl (S) -3- (1-phenylethyl) -2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylate

Molecular Formula

C14H16N2O2S

Molecular Weight

276.35

Target Alternative Name

Etomidate

Product Name Synonym

Ethyl (S) -3- (1-phenylethyl) -2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylate

Chemical Information

Etomidate Impurity 23

CAS Number	112421-33-7
PubChem CID	1201653
IUPAC Name	ethyl 3-[(1S)-1-phenylethyl]-2-sulfanylidene-1H-imidazole-4-carboxylate
Molecular Formula	C14H16N2O2S
Molecular Weight	276.36
XLogP	2.3
Topological Polar Surface Area	73.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	19
Formal Charge	0
Complexity	389

SMILES

CCOC(=O)C1=CNC(=S)N1[C@@H](C)C2=CC=CC=C2

InChI

InChI=1S/C14H16N2O2S/c1-3-18-13(17)12-9-15-14(19)16(12)10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,15,19)/t10-/m0/s1

InChIKey

URUAOABMVSHWSB-JTQLQIEISA-N

Chemical Structure

2D Structure

CAS: 112421-33-7

CID: 1201653

Formula: C14H16N2O2S

MW: 276.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	276.36
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	276.09324893
Monoisotopic Mass	276.09324893
Topological Polar Surface Area	73.7 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	389
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes