Home Indole and Oxindoles 1105192-89-9
1105192-89-9,MFCD16652904
Catalog No.:AA01AQGV
1105192-89-9 | 1-(2-Isothiocyanatoethyl)-2-methyl-1H-indole
This product is typically in stock,please click "Inquire" below or
contact us at sales@aablocks.com for pricing and availability information.
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA01AQGV
Chemical Name:
1-(2-Isothiocyanatoethyl)-2-methyl-1H-indole
CAS Number:
1105192-89-9
Molecular Formula:
C12H12N2S
Molecular Weight:
216.3021
MDL Number:
MFCD16652904
IUPAC Name:
1-(2-isothiocyanatoethyl)-2-methylindole
InChI:
InChI=1S/C12H12N2S/c1-10-8-11-4-2-3-5-12(11)14(10)7-6-13-9-15/h2-5,8H,6-7H2,1H3
InChI Key:
SZFWFSHKZQKIDJ-UHFFFAOYSA-N
SMILES:
S=C=NCCn1c(C)cc2c1cccc2
Properties
Computed Properties
 
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.072g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.302g/mol
Monoisotopic Mass:
216.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

Synonyms
 
1-(2-Isothiocyanatoethyl)-2-methyl-1H-indole 
1105192-89-9 
ZINC26422231 
AKOS015956383 
MCULE-8266063787 
1-(2-isothiocyanatoethyl)-2-methylindole 
L-4123 
F2143-0158 
N/A 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A
Related Products