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Home > Indoles and Oxindole > 1105192-89-9
1105192-89-9 | 1-(2-Isothiocyanatoethyl)-2-methyl-1H-indole
CAS No: 1105192-89-9 Catalog No: AG01AQJN MDL No:MFCD16652904
Product Description
Catalog Number:
AG01AQJN
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
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
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