1H-Indole-3-Thiol 3-巯基吲哚

CAS 480-94-4 MFCD00152110

化学结构图

480-94-4
SMILES: Sc1c[nH]c2ccccc21

化学属性

Mol. FormulaC8H7NS
Mol. Weight149.21
Melting Point102-103 °C
Boiling Point326.6±15.0 °C at 760 mmHg
Flash Point151.3±20.4 °C

别名和识别编码

Chemical Name1H-Indole-3-Thiol
CAS Number480-94-4
Alfabeta NameINDOLYLHYDROSULFIDE H13---
MDL NumberMFCD00152110
Synonym 1H-indole-3-thiol {LY} 1H-indole-3-thiol {} {LY} 1H-indole-3-thiol {} {} {LY} 1H-indole-3-thiol {} {} {} {LY} 1H-indole-3-thiol {} {} {} {} {LY} 1H-indole-3-thiol {} {} {} {} {} {LY} 1H-indole-3-thiol {} {} {} {} {} {} {LY} 1H-indole-3-thiol {} {} {} {} {} {} {} {LY} 1H-indole-3-thiol {} {} {} {} {} {} {} {} {LY} 1H-indole-3-thiol {} {} {} {} {} {} {} {} {} {LY} 1H-indole-3-thiol {} {} {} {} {} {} {} {} {} {} {LY} 1H-indole-3-thiol {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-indole-3-thiol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-indole-3-thiol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-indole-3-thiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-indole-3-thiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-indole-3-thiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-indole-3-thiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-indole-3
Chemical Name Translation3-巯基吲哚
InChIKeyLYFRUBQVZGVXPR-UHFFFAOYSA-N
Beilstein Registry Number0114958
PubChem Substance ID329788711
LabNetwork Molecule IDLN00148724
Canonical SMILESC1=CC=C2C(=C1)C(=CN2)S
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分类

  • Sulfur & Selenium Compounds
  • {SNA} Building Blocks, C7 to C9, Chemical Synthesis, Heterocyclic Building Blocks, Indoles
  • {KO} Thiols
  • Indole Derivatives
  • {KO} AminesSecondaryHeteroNH

相关文献及参考

  • Harris, R.L.N.: Tetrahedron Letters, 51, 4465 (1969)

安全信息

Warnings IRRITANT
RTECSNM1883500 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 150 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PCJOAU Pharmaceutical Chemistry Journal (English Translation).  Translation
   of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013)  No.1-
   1967-  Volume(issue)/page/year: 19,578,1985

WGK Germany3
GHS Symbol
Precautionary statements
  • P305+P351+P338
Signal word Warning
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；
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Risk Statements
  • R36 Irritating to eyes 刺激眼睛
Storage condition 2-8°C, protect from light, stored under nitrogen {LY} 2-8°C, protect from light, stored under nitrogen {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitr

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 Donors
2
H-bond Acceptors
0
Rotatable Bonds
0
LogP
1

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. Indoles 吲哚
  5. C7 to C9 - Indoles

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