3,4,5,6-Tetrahydro-2H-cyclopenta(d)(1,3)thiazol-2-imine

AKOS BB-9240 · AKOS BBS-00002729 · TIMTEC-BB SBB005653 · 5,6-Dihydro-4H-cyclopentathiazol-2-amine · 2-AMINO-5,6-DIHYDRO-4H-CYCLOPENTATHIAZOLE · 4H-Cyclopentathiazol-2-amine, 5,6-dihydro- · 4H,5H,6H-cyclopenta[d][1,3]thiazol-2-amine · 5,6-Dihydro-4H-cyclopentathiazol-2-ylamine

https://huagongshe.com/ko/chemical/332255

3,4,5,6-Tetrahydro-2H-cyclopenta(d)(1,3)thiazol-2-imine 분자 구조식

식별자 및 물리적 특성

CAS No.	53051-97-1
분자식	C6H8N2S
평균 분자량	140.21 g/mol
단동위원소 질량	140.04081926 g/mol
SMILES	Nc1nc2c(s1)CCC2
InChIKey	HUKBELGUWQLEFD-UHFFFAOYSA-N
PubChem CID	332255
ChEMBL	CHEMBL5219638
EC No.	671-528-2
DTXSID	DTXSID20201092

화학 및 물리적 성질

XLogP	1.2
극성 표면적	67.2
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	0
무거운 원자 수	9
형식 전하	0
복잡도	118
녹는점	96-99°C
끓는 점	295.5±9.0 °C(Predicted)
밀도	1.354±0.06 g/cm3(Predicted)
저장 조건	2-8°C(protect from light)
pKa(산도 계수)	6.02±0.20(Predicted)

안전 및 규제

GHS 분류	WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (50%)
관세 코드	2934999090