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23518-17-4 | Thiocyanic acid, 1-methyl-1H-indol-3-yl ester
CAS No: 23518-17-4 Catalog No: AG002NJB MDL No:
Product Description
Catalog Number:
AG002NJB
Chemical Name:
Thiocyanic acid, 1-methyl-1H-indol-3-yl ester
CAS Number:
23518-17-4
Molecular Formula:
C10H8N2S
Molecular Weight:
188.2489
IUPAC Name:
(1-methylindol-3-yl) thiocyanate
InChI:
InChI=1S/C10H8N2S/c1-12-6-10(13-7-11)8-4-2-3-5-9(8)12/h2-6H,1H3
InChI Key:
YJXBUBLBWMUGPJ-UHFFFAOYSA-N
SMILES:
N#CSc1cn(c2c1cccc2)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.248g/mol
Monoisotopic Mass:
188.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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