CAS:40493-18-3 / 4-chloro-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine--Hangzhou Chempro Technology Co., Ltd.

CAS Number: 40493-18-3
4-chloro-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine

Structure
Name: 4-chloro-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine
Synonyms:

General Information

Product Number: 40493183

CAS Registry Number: 40493-18-3

Name:

[1]Benzothieno[2,3-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro-

Chemical Formula: C10H9ClN2S

Exact Mass: 224.02

Molecular Weight: 224.71

m/z: 224.02 (100.0%), 226.01 (36.5%), 225.02 (11.7%), 227.02 (4.0%), 228.01 (1.5%)

Elemental Analysis: C, 53.45; H, 4.04; Cl, 15.78; N, 12.47; S, 14.27

InChI: InChI=1S/C10H9ClN2S/c11-9-8-6-3-1-2-4-7(6)14-10(8)13-5-12-9/h5H,1-4H2

InChIKey: PRNJDUCSVXTOTN-UHFFFAOYSA-N

Canonical SMILES : C1CCC2=C(C1)C3=C(S2)N=CN=C3Cl

Thermal Properties	Value	Condition	Note
Melting Point	228 °C	Solv: N,N-dimethylformamide (68-12-2); water (7732-18-5)	(6)CAS
Melting Point	228 °C	Solv: N,N-dimethylformamide (68-12-2); water (7732-18-5)	(8)CAS
Melting Point	178-180 °C	Solv: 1,4-dioxane (123-91-1)	(1)CAS
Melting Point	114-115 °C		(3)CAS
Melting Point	113-115 °C	Solv: hexane (110-54-3)	(3)CAS