MFCD01917484

CAT: 0127-BUP13556-06Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-BUP13556-06Size:1 g

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CAS Number

15854-11-2

Synonyms

ETHYL 2-AMINO-4- (4-METHOXYPHENYL) -3-THIOPHENECARBOXYLATE

Purity

=98%

Smiles

CCOC(=O)c1c(N)scc1-c1ccc(OC)cc1

Chemical Information

Ethyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate

CAS Number	15854-11-2
PubChem CID	727641
IUPAC Name	ethyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate
Molecular Formula	C14H15NO3S
Molecular Weight	277.34
XLogP	3.6
Topological Polar Surface Area	89.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	19
Formal Charge	0
Complexity	305

SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)N

InChI

InChI=1S/C14H15NO3S/c1-3-18-14(16)12-11(8-19-13(12)15)9-4-6-10(17-2)7-5-9/h4-8H,3,15H2,1-2H3

InChIKey

ZUOUKGJUHCKVDK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15854-11-2

CID: 727641

Formula: C14H15NO3S

MW: 277.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	277.34
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	277.07726451
Monoisotopic Mass	277.07726451
Topological Polar Surface Area	89.8 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	305
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
MBS3613357-01	MFCD01917484