2,2':5',2'-TERTHIOPHENE

Description

2,2':5',2'-TERTHIOPHENE · CAS 1081-34-1 · C12H8S3. UNII 0P77RAU2RR. LogP: 5.57.

Identification

CAS Registry Number	1081-34-1
PubChem CID	65067
Molecular formula	C12H8S3
IUPAC name	2,5-dithiophen-2-ylthiophene
UNII (FDA)	0P77RAU2RR

Computed Descriptors

Molecular Weight	248.4
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	247.97881378
Monoisotopic Mass	247.97881378
Topological Polar Surface Area	84.7
Heavy Atom Count	15
Formal Charge	0

Physical & Chemical Properties

LogP	5.57

Physical description & handling notes

• 146.4 Ų [M]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID2041206]

Regulatory Status

GHS notification summary	50% (2 / 4)

GHS Hazard Classification

GHS notification summary	50% (2 / 4)
Reported hazard statements	H315 (25%), H319 (25%), H335 (25%), H413 (25%)

Documented Uses

• Synthetic Polymer MALDI Matrix Compounds
• Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
• Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
• Drugs that are pharmacologically inactive but when exposed to ultraviolet radiation or sunlight are converted to their active metabolite to produce a beneficial reaction affecting the diseased tissue. These compounds can be administered topically or systemically and have been used therapeutically to treat psoriasis and various types of neoplasms.

Synonyms

2,2':5',2''-Terthiophene; 1081-34-1; alpha-Terthienyl; 2,2',5',2''-Terthienyl; 2,5-dithiophen-2-ylthiophene; 0P77RAU2RR; CHEBI:10335; 2,2,5,2''-terthiophene; RefChem:555954; 640-441-1; alpha-Terthiophene; 2,5-Di(2-thienyl)thiophene; 2,5-bis(2-thienyl)thiophene; MFCD00012167; C12H8S3; 5-(thiophen-2-yl)-2,2'-bithiophene

Frequently Asked Questions

What are the CAS number and molecular formula of 2,2':5',2'-TERTHIOPHENE?

CAS 1081-34-1; molecular formula C12H8S3; molecular weight — g/mol.

What other names is 2,2':5',2'-TERTHIOPHENE known by?

2,2':5',2''-Terthiophene, 1081-34-1, alpha-Terthienyl, 2,2',5',2''-Terthienyl, 2,5-dithiophen-2-ylthiophene, 0P77RAU2RR.

Is 2,2':5',2'-TERTHIOPHENE classified as hazardous?

50% of GHS notifications report no hazard classification (2 of 4).

What are the key physical properties of 2,2':5',2'-TERTHIOPHENE?

LogP: 5.57.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.