5-(Benzylthio)-1,3,4-Thiadiazole-2-Thiol 5-苯甲硫基-1,3,4-噻二唑-2-硫醇

CAS 4858-36-0 MFCD01568740

化学结构图

4858-36-0
SMILES: S=c1[nH]nc(SCc2ccccc2)s1

化学属性

Mol. FormulaC9H8N2S3
Mol. Weight240.37
Melting Point137-139 °C

别名和识别编码

Chemical Name5-(Benzylthio)-1,3,4-Thiadiazole-2-Thiol
CAS Number4858-36-0
Alfabeta NameBENZYLSULFANYLTHIADIAZOLETHIOL 51342()-----,,
MDL NumberMFCD01568740
Chemical Name Translation5-苯甲硫基-1,3,4-噻二唑-2-硫醇
PubChem Substance ID798021
InChIInChI=1S/C9H8N2S3/c12-8-10-11-9(14-8)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,12)
LabNetwork Molecule IDLN00145772
Synonym 5-(Benzylthio)-1,3,4-thiadiazole-2-thiol {LY} 5-(Benzylthio)-1,3,4-thiadiazole-2-thiol {} {LY} 5-(Benzylthio)-1,3,4-thiadiazole-2-thiol {} {} {LY} 5-(Benzylthio)-1,3,4-thiadiazole-2-thiol {} {} {} {LY} 5-(Benzylthio)-1,3,4-thiadiazole-2-thiol {} {} {} {} {LY} 5-(Benzylthio)-1,3,4-thiadiazole-2-thiol {} {} {} {} {} {LY} 5-(Benzylthio)-1,3,4-thiadiazole-2-thiol {} {} {} {} {} {} {LY} 5-(Benzylthio)-1,3,4-thiadiazole-2-thiol {} {} {} {} {} {} {} {LY} 5-(Benzylthio)-1,3,4-thiadiazole-2-thiol {} {} {} {} {} {} {} {} {LY} 5-(Benzylthio)-1,3,4-thiadiazole-2-thiol {} {} {} {} {} {} {} {} {} {LY} 5-(Benzylthio)-1,3,4-thiadiazole-2-thiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-(Benzylthio)-1,3,4-thiadiazole-2-thiol {} {} {} {} {} {} {} {} {} {} {} {LY} 5-(Benzylthio)-1,3,4-thiadiazole-2-thiol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-(Benzylthio)-1,3,4-thiadiazole-2-thiol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-(Benzylthio)-1,3,4-thiadiazol
Canonical SMILESC1=CC=C(C=C1)CSC2=NN=C(S)S2
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分类

  • {KO} Thiols

安全信息

Warnings IRRITANT
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
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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
3
H-bond Donors
1
LogP
3

系列性分类

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