Carbamodithioic acid, (1H-indol-3-ylmethyl)-, methyl ester


Chemical Name: Carbamodithioic acid, (1H-indol-3-ylmethyl)-, methyl ester
CAS Number: 105748-59-2
Product Number: AG00854O(AGN-PC-0092RH)
Synonyms:
MDL No:
Molecular Formula: C11H12N2S2
Molecular Weight: 236.3564

Identification/Properties


Computed Properties
Molecular Weight:
236.351g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
236.044g/mol
Monoisotopic Mass:
236.044g/mol
Topological Polar Surface Area:
85.2A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
233
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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