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

HCID 332255CAS 53051-97-1

기본 정보

표준 SMILES: Nc1nc2c(s1)CCC2
InChIKey: HUKBELGUWQLEFD-UHFFFAOYSA-N
분자식: C6H8N2S
평균 분자량: 140.21 g/mol
단동위원소 질량: 140.04081926

이름 및 식별자

우선 이름: 3,4,5,6-Tetrahydro-2H-cyclopenta(d)(1,3)thiazol-2-imine
IUPAC: 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
영어명: 5,6-Dihydro-4H-cyclopentathiazol-2-ylamine
분자식: C6H8N2S
분자량: 140.21

이름 및 동의어

53051-97-15,6-Dihydro-4H-cyclopentathiazol-2-ylamine5,6-Dihydro-4H-cyclopenta[d][1,3]thiazol-2-amineIQ7FVP5Q7GUNII-IQ7FVP5Q7GNSC 3284423,4,5,6-Tetrahydro-2H-cyclopenta(d)(1,3)thiazol-2-imineNSC-328442DTXSID202010924H-Cyclopentathiazol-2-amine, 5,6-dihydro-5,6-DIHYDRO-4H-CYCLOPENTATHIAZOL-2-AMINE4H-CYCLOPENTATHIAZOLE, 2-AMINO-5,6-DIHYDRO-

이름 더 보기

AKOS BB-9240AKOS BBS-00002729TIMTEC-BB SBB0056532-AMINO-5,6-DIHYDRO-4H-CYCLOPENTATHIAZOLE

5,6-DIHYDRO-4H-CYCLOPENTA(D)(1,3)THIAZOL-2-AMINE3,4,5,6-Tetrahydro-2H-cyclopenta[d][1,3]thiazol-2-imineRefChem:90890DTXCID201235835,6-dihydro-4H-cyclopenta[d]thiazol-2-amine2-Amino-5,6-dihydro-4H-cyclopenta[d]thiazole4H,5H,6H-cyclopenta[d][1,3]thiazol-2-amineMFCD00159774

데이터베이스 식별자

CAS: 53051-97-1
PubChem CID: 332255
DTXSID: DTXSID20201092
ChEMBL: CHEMBL5219638
UNII: IQ7FVP5Q7G
EC Number: 671-528-2
Nikkaji: J1.405.535E

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 67.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 118

물리화학적 성질

녹는점: 96 · 96-99°C
끓는 점: 295.5 · 295.5±9.0 °C(Predicted)
밀도: 1.354 · 1.354±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 6.02 · 6.02±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (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.