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CAS Number: 81136-42-7
4-chloro-6-ethylthieno[2,3-d]pyrimidine

Structure

4-chloro-6-ethylthieno[2,3-d]pyrimidine
Name: 4-chloro-6-ethylthieno[2,3-d]pyrimidine
Synonyms:
General Information
Product Number: 81136427

CAS Registry Number: 81136-42-7

Name:

Thieno[2,​3-​d]​pyrimidine, 4-​chloro-​6-​ethyl-
4-​Chloro-​6-​ethylthieno[2,​3-​d]​pyrimidine 

 

Chemical Formula: C8H7ClN2S
Exact Mass: 198.00
Molecular Weight: 198.67
m/z: 198.00 (100.0%), 200.00 (36.6%), 199.01 (8.7%), 201.00 (3.7%), 199.00 (1.5%), 201.99 (1.4%)

 

InChI: InChI=1S/C8H7ClN2S/c1-2-5-3-6-7(9)10-4-11-8(6)12-5/h3-4H,2H2,1H3
InChIKey: IYTRSBKGPIDYHI-UHFFFAOYSA-N
Canonical SMILES : CCC1=CC2=C(S1)N=CN=C2Cl

 

Thermal Properties Value Condition Note
Melting Point 54-56 °C Solv: hexane (110-54-3) (3)CAS
Melting Point 53-56 °C   (3)CAS
Melting Point 47-48 °C   (4)IC

Specification

98%

References
  1. (1) Sharma, Chanchal; E-Journal of Chemistry 2010, V7(2), P655-664 CAPLUS
  2. (2) Levy, Daniel E.; WO 2003022214 A2 2003 CAPLUS
  3. (3) Phoujdar, Manisha S.; Tetrahedron Letters 2008, V49(7), P1269-1273 CAPLUS
  4. (4) Ram, Vishnu J.; Journal of Heterocyclic Chemistry 1981, V18(7), P1277-80 CAPLUS
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