2-(3-Chloropropanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

HCID 1666398
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基本情報

CAS
302936-04-5
標準SMILES
NC(=O)c1c(NC(=O)CCCl)sc2c1CCCC2
InChIKey
YDSIFVWHBFYNFG-UHFFFAOYSA-N
分子式
C12H15ClN2O2S
平均分子量
286.78 g/mol
単同位体質量
286.0542766

名称と識別子

優先名称
2-(3-Chloropropanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
IUPAC
2-(3-chloropropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

名称と別名

2-(3-chloropropanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide302936-04-52-[(3-chloropropanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide2-(3-chloropropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideSCHEMBL3453230YDSIFVWHBFYNFG-UHFFFAOYSA-NSTL4423792-(3-chloropropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamideAKOS000796430EBC-551114CS-0243061EN300-25843
名称をさらに表示
G34245Z564188812-(3-chloropropanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide

データベース識別子

CAS
302936-04-5
PubChem CID
1666398
EC Number
113-398-7

物性

構造計算による物性

XLogP
2.3
極性表面積
100 Ų
水素結合供与体数
2
水素結合受容体数
3
回転可能結合数
4
重原子数
18

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

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