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CAS Number: 108831-68-1
4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine

Structure

 4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine
Name: 4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine
Synonyms:
General Information
Product Number: 108831681
CAS Registry Number:
108831-68-1
Name：
Thieno[2,3-d]pyrimidine, 4-chloro-5,6-dimethyl-
4-Chloro-5,6-dimethylthieno[2,3-d]pyrimidine; NSC 153302 
 
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%)
Elemental Analysis: C, 48.36; H, 3.55; Cl, 17.84; N, 14.10; S, 16.14
 
InChI: InChI=1S/C8H7ClN2S/c1-4-5(2)12-8-6(4)7(9)10-3-11-8/h3H,1-2H3
InChIKey: HYOBKTVPACQCBR-UHFFFAOYSA-N
Canonical SMILES : CC1=C(SC2=C1C(=NC=N2)Cl)C
 
Thermal Properties Value Condition Note
Melting Point 112-115 °C Solv: methanol (67-56-1) (2)IC
Melting Point 105-107 °C Solv: benzene (71-43-2); ligroine (8032-32-4) (1)CAS
Melting Point 103-105 °C   (3)CAS

Specification

98%
References
  1. (1) Kandeel, M. M.; Bulletin of the Faculty of Pharmacy (Cairo University) 2003, V41(1), P43-50 CAPLUS
  2. (2) Jordis, Ulrich; Vestnik Slovenskega Kemijskega Drustva 1986, V33(3), P217-38 CAPLUS
  3. (3) Bora, R. O.; International Journal of Chemical Sciences 2005, V3(3), P469-474 CAPLUS
  4. (4) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
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