2-Phenylthiophene

CAT: 0127-OR350328-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR350328-01Size:1 g

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CAS Number

825-55-8

MDL Number

MFCD00130080

Purity

98%

Smiles

C1ccc(cc1)c2cccs2

Storage Conditions

Store at 2-8°C

Chemical Information

2-Phenylthiophene

CAS Number	825-55-8
PubChem CID	69999
IUPAC Name	2-phenylthiophene
Molecular Formula	C10H8S
Molecular Weight	160.24
XLogP	3.7
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=CC=CS2

InChI

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

InChIKey

PJRGDKFLFAYRBV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 825-55-8

CID: 69999

Formula: C10H8S

MW: 160.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	160.24
XLogP3	3.7
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
OR1080100-01	2-Bromo-3-phenylthiophene
OR1092479-01	2- (Methylthio) -5-phenylthiophene
OR1101004	2-Methyl-5-phenylthiophene
OR1098114	2-Chloro-5-phenylthiophene
OR1010495-01	2-Iodo-5-Phenylthiophene
OR1011664-01	4-Phenylthiophene-2-Carbaldehyde
OR23148	5-Phenylthiophene-2-carboxaldehyde
OR47362	2-Bromo-4-phenylthiophene
OR22159	2-methyl-3-phenylthiophene
BUP08442-01	N-phenylthiophene-2-carboximidamide

Catalog	Name
RG-P080541-01	2-Phenylthiophene
BAA66535-01	2-Ethynyl-5-phenylthiophene
UAA16321	5-Phenylthiophene-2-carboxaldehyde
MBS5785914	N-phenylthiophene-2-carboximidamide
sc-347256A	3-phenylthiophene-2-carboxamide
sc-275036	2-Methyl-5-phenylthiophene
sc-259277	2- (Chlorosulphonyl) -5-phenylthiophene
29488-24-2-01	2-Bromo-5-phenylthiophene
BBA17087	4-Phenylthiophene-2-carboxaldehyde
HY-W140208-01	3-Phenylthiophene