273-99-4 ((8CI,9CI)-噻唑并[4,5-d]嘧啶,Thiazolo[4,5-d]pyrimidine)

快速询单

结构式：

(8CI,9CI)-噻唑并[4,5-d]嘧啶MOL文件

CAS号：

273-99-4

中文名称：

(8CI,9CI)-噻唑并[4,5-d]嘧啶

英文名称：

Thiazolo[4,5-d]pyrimidine

分子式：

C₅H₃N₃S

分子量：

137.162418603897

(8CI,9CI)-噻唑并[4,5-d]嘧啶(273-99-4)名称与标识符

名称

中文别名：

(8CI,9CI)-噻唑并[4,5-d]嘧啶;

英文别名：

Thiazolo[4,5-d]pyrimidine;Thiazolo[4,5-d]pyrimidine (8CI,9CI);[1,3]thiazolo[4,5-d]pyrimidine;273-99-4;YWBULOYFCXZCGF-UHFFFAOYSA-N;SCHEMBL214709;DTXSID10438456;

标识符

InChIKey：

YWBULOYFCXZCGF-UHFFFAOYSA-N

Inchi：

1S/C5H3N3S/c1-4-5(7-2-6-1)8-3-9-4/h1-3H

SMILES：

S1C=NC2=C1C=NC=N2

(8CI,9CI)-噻唑并[4,5-d]嘧啶(273-99-4)物化性质

实验特性

PSA : 38.67

计算特性

精确分子量 : 137.00489
氢键供体数量 : 0
氢键受体数量 : 4
可旋转化学键数量 : 0
同位素质量 : 137.00476828g/mol
重原子数量 : 9
复杂度 : 108
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1
拓扑分子极性表面积 : 66.9Å²

(8CI,9CI)-噻唑并[4,5-d]嘧啶(273-99-4)相关文献

1. Synthesis of derivatives of thiazolo[4,5-d]pyrimidine. Part II
J. A. Baker,P. V. Chatfield J. Chem. Soc. C 1970 2478
2. 2′-Deoxyimmunosine: stereoselective synthesis, base pairing and duplex stability of oligonucleotides containing 8-oxo-7-thiaguanine
Frank Seela,Xin Ming Org. Biomol. Chem. 2008 6 1450
3. Structural evolution of toll-like receptor 7/8 agonists from imidazoquinolines to imidazoles
Deepender Kaushik,Arshpreet Kaur,Nikolai Petrovsky,Deepak B. Salunke RSC Med. Chem. 2021 12 1065
4. Research developments in the syntheses, anti-inflammatory activities and structure–activity relationships of pyrimidines
Haroon ur Rashid,Marco Antonio Utrera Martines,Adriana Pereira Duarte,Juliana Jorge,Shagufta Rasool,Riaz Muhammad,Nasir Ahmad,Muhammad Naveed Umar RSC Adv. 2021 11 6060
5. Synthesis of derivatives of thiazolo[4,5-d]pyrimidine. Part I
J. A. Baker,P. V. Chatfield J. Chem. Soc. C 1969 603
6. Contemporary progress in the green synthesis of spiro-thiazolidines and their medicinal significance: a review
Surbhi Dhadda,Shaily Sharma,Prakash Jakhar,Himanshu Sharma RSC Adv. 2023 13 3723
7. 1337. Isothiazoles. Part IX. Isothiazolopyrimidines
A. Holland,R. Slack,T. F. Warren,D. Buttimore J. Chem. Soc. 1965 7277
8. Heterocyclisation of trisubstituted formamidines containing an aryl or hetaryl substituent at the imine nitrogen atom
Gennady V. Oshovsky,Alexander M. Pinchuk Russ. Chem. Rev. 2000 69 845
9. Heterocyclisation of trisubstituted formamidines containing an aryl or hetaryl substituent at the imine nitrogen atom
Gennady V. Oshovsky,Alexander M. Pinchuk Russ. Chem. Rev. 2000 69 845
10. Contents pages
J. Chem. Soc. C 1969 P013