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Home > Indoles and Oxindole > 23706-25-4
23706-25-4 | Thiocyanic acid, 1H-indol-3-yl ester
CAS No: 23706-25-4 Catalog No: AG002O75 MDL No:
Product Description
Catalog Number:
AG002O75
Chemical Name:
Thiocyanic acid, 1H-indol-3-yl ester
CAS Number:
23706-25-4
Molecular Formula:
C9H6N2S
Molecular Weight:
174.2223
IUPAC Name:
1H-indol-3-yl thiocyanate
InChI:
InChI=1S/C9H6N2S/c10-6-12-9-5-11-8-4-2-1-3-7(8)9/h1-5,11H
InChI Key:
UUVFLDAVBAEABK-UHFFFAOYSA-N
SMILES:
N#CSc1c[nH]c2c1cccc2
NSC Number:
144993
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.221g/mol
Monoisotopic Mass:
174.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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