CAS 160502-05-6 4H,5H,6H-cyclopenta[c]thiophene-5-carboxylic acid (HCID 15814413)

基本情報

CAS: 160502-05-6
標準SMILES: O=C(O)C1Cc2cscc2C1
InChIKey: ZPSKAIONUPCOJP-UHFFFAOYSA-N
分子式: C8H8O2S
平均分子量: 168.21 g/mol

名称と識別子

優先名称: 4H,5H,6H-cyclopenta[c]thiophene-5-carboxylic acid
IUPAC: 5,6-dihydro-4H-cyclopenta[c]thiophene-5-carboxylic acid
英語名: 5,6-Dihydro-4H-cyclopenta[c]thiophene-5-carboxylic acid
分子式: C8H8O2S
分子量: 168.21

名称と別名

160502-05-64H,5H,6H-cyclopenta[c]thiophene-5-carboxylic acid4H,5H,6H-cyclopenta(c)thiophene-5-carboxylic acidRefChem:527217888-644-65,6-Dihydro-4H-cyclopenta[c]thiophene-5-carboxylic acid4H,5H,6H-cyclopenta[c]thiophene-5-carboxylicacidSCHEMBL7816570ZPSKAIONUPCOJP-UHFFFAOYSA-NMFCD20640490SY400594CS-0100754

名称をさらに表示

4H-Cyclopenta[c]thiophene-5-carboxylic acid, 5,6-dihydro-

EN300-67462795-(carboxy)-2,4,5,6-tetrahydrocyclopenta[c]thiophene5-(carboxy)- 2,4,5,6-tetrahydrocyclopenta[c]thiophene5-(carboxy)-2,4,5,6-tetrahydro-cyclopenta[c]thiophene5-(carboxy)-2,4,5,6-tetrahydrocyclopenta [c]thiopheneZ12625172435-(carboxy)-2,4,5,6-tetrahydro-cyclopenta-[c]thiophene

データベース識別子

CAS: 160502-05-6
PubChem CID: 15814413
EC Number: 888-644-6

物性

構造計算による物性

XLogP: 1.4
極性表面積: 65.5 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: 1
重原子数: 11
形式電荷: 0
複雑度: 169

物理化学的性質

沸点: 337.1 · 337.1±42.0 °C(Predicted)
比重(密度): 1.398 · 1.398±0.06 g/cm3(Predicted)
酸解離定数(Pka): 4.52 · 4.52±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.