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2,4-Dichlorobenzo[4,5]thieno[3,2-d]pyrimidine , CAS No.160199-05-3

COA

Cas Number: 160199-05-3
Molecular Weight: 255.12
MDL number: MFCD13190347
PubChem CID: 57970085

In stock

Item Number

D398476

Grouped product items
SKU	Size	Availability	Price	Qty
D398476-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$39.90
D398476-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$877.90

Discover 2,4-Dichlorobenzo[4,5]thieno[3,2-d]pyrimidine by Aladdin Scientific in for only $39.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	160199-05-3 \| 2,4-dichlorobenzo[4,5]thieno[3,2-d]pyrimidine \| 2,4-DICHLORO-BENZO[4,5]THIENO[3,2-D]PYRIMIDINE \| [1]Benzothieno[3,2-d]pyrimidine, 2,4-dichloro- \| MFCD13190347 \| 2,4-dichloro-[1]benzothiolo[3,2-d]pyrimidine \| C10H4Cl2N2S \| SCHEMBL2534139 \| BSWVSKQCYPFXJF-UHF
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thienopyrimidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thienopyrimidines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thienopyrimidines
Alternative Parents	1-benzothiophenes 2-halopyrimidines Benzenoids Aryl chlorides Thiophenes Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzothiophene - Thienopyrimidine - 1-benzothiophene - Halopyrimidine - 2-halopyrimidine - Benzenoid - Aryl chloride - Pyrimidine - Aryl halide - Thiophene - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2,4-dichloro-[1]benzothiolo[3,2-d]pyrimidine
INCHI	InChI=1S/C10H4Cl2N2S/c11-9-8-7(13-10(12)14-9)5-3-1-2-4-6(5)15-8/h1-4H
InChIKey	BSWVSKQCYPFXJF-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C3=C(S2)C(=NC(=N3)Cl)Cl
Isomeric SMILES	C1=CC=C2C(=C1)C3=C(S2)C(=NC(=N3)Cl)Cl
Molecular Weight	255.12
Reaxy-Rn	18701984
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18701984&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	255.120 g/mol
XLogP3	4.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	253.947 Da
Monoisotopic Mass	253.947 Da
Topological Polar Surface Area	54.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	254.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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