5,6-ジヒドロ-4H-シクロペンタチアゾール-2-イルアミン

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

HCID 332255CAS 53051-97-1

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1nc2c(s1)CCC2
InChIKey: HUKBELGUWQLEFD-UHFFFAOYSA-N
分子式: C6H8N2S
平均分子量: 140.21 g/mol
単同位体質量: 140.04081926

名称と識別子

優先名称: 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
現地名: 5,6-ジヒドロ-4H-シクロペンタチアゾール-2-イルアミン
英語名: 5,6-Dihydro-4H-cyclopentathiazol-2-ylamine
分子式: C6H8N2S
分子量: 140.21

名称と別名

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-

名称をさらに表示

5,6-ジヒドロ-4H-シクロペンタチアゾール-2-イルアミン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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.2
極性表面積: 67.2 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 118

物理化学的性質

融点: 96 · 96-99°C
沸点: 295.5 · 295.5±9.0 °C(Predicted)
比重(密度): 1.354 · 1.354±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 6.02 · 6.02±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

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.