3-Phenylthiophene

CAT: 0127-OR1011070-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1011070-01Size:100 mg

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CAS Number

2404-87-7

MDL Number

MFCD00114997

Purity

95%

Smiles

C1ccc(cc1)c2ccsc2

Chemical Information

3-Phenylthiophene

CAS Number	2404-87-7
PubChem CID	75473
IUPAC Name	3-phenylthiophene
Molecular Formula	C10H8S
Molecular Weight	160.24
XLogP	3.2
Topological Polar Surface Area	28.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	116

SMILES

C1=CC=C(C=C1)C2=CSC=C2

InChI

InChI=1S/C10H8S/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-8H

InChIKey

ZDQZVKVIYAPRON-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2404-87-7

CID: 75473

Formula: C10H8S

MW: 160.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	160.24
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	160.03467143
Monoisotopic Mass	160.03467143
Topological Polar Surface Area	28.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	116
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
OR1088872-01	4-phenylthiophene-3-carbaldehyde
OR1088087	3-Bromo-4-phenylthiophene
OR1101046-01	3-methyl-2-phenylthiophene
OR350328-01	2-Phenylthiophene
OR103632	2-Phenylthiophene-3-sulphonyl chloride
OR1031069-01	4-Phenylthiophene-3-carboxylic acid
OR1062833-01	3,5-Dimethyl-2-phenylthiophene
OR11374	Methyl 4-phenylthiophene-3-carboxylate
OR1002885-01	2-Acetyl-3-amino-5-phenylthiophene
BUP23430-01	2- (Methylsulfonyl) -4-phenylthiophene-3-carbonitrile

Catalog	Name
HY-W140208-01	3-Phenylthiophene
NBA11512-01	5-Phenylthiophene-3-carbaldehyde
sc-347256A	3-phenylthiophene-2-carboxamide
RG-P080541-01	2-Phenylthiophene
ZDA57858-01	5-Phenylthiophene-3-carboxylic acid
YAA06242-01	4-Phenylthiophene-3-carboxylic acid
TRC-P337030-5MG	3-Phenylthiophene-2-carboxylic Acid
sc-263650	Methyl 4-phenylthiophene-3-carboxylate
sc-346366	3-amino-5-phenylthiophene-2-carbohydrazide
sc-265337	2-Acetyl-3-amino-5-phenylthiophene