Ethyl 4-Methyl-1,2,3-Thiadiazole-5-Carboxylate 4-甲基-1,2,3-噻重氮-5-甲酸乙酯

CAS 18212-20-9 MFCD00052549

化学结构图

18212-20-9
SMILES: CC1N=NSC=1C(=O)OCC

化学属性

Mol. FormulaC6H8N2O2S
Mol. Weight172.20
Melting PointBP: 101 @ 8mm Hg
Density1.265 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.5050(lit.)
TSCANo
Boiling Point117-118°/15mm

别名和识别编码

Chemical NameEthyl 4-Methyl-1,2,3-Thiadiazole-5-Carboxylate
CAS Number18212-20-9
Alfabeta NameETHYLMETHYLTHIADIAZOLECARBOXYLATE 41235-----,,
MDL NumberMFCD00052549
Synonym 4-甲基-1,2,3-噻重氮-5-羧酸乙酯 4-Methyl-1,2,3-thiadiazole-5-carboxylic acid ethyl ester
Beilstein Registry Number609140
PubChem Substance ID24879059
Chemical Name Translation4-甲基-1,2,3-噻重氮-5-甲酸乙酯
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Thiadiazoles
  • {KO} Esters

安全信息

Warnings IRRITANT
WGK Germany3
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Signal word Warning
GHS Symbol
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Hazard Codes Xi
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
3
H-bond Donors
0
LogP
9.292000000000000e-001

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Thiadiazoles 噻二唑
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Thiadiazoles 噻二唑
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Thiazoles 噻唑

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