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Home > Indoles and Oxindole > 202121-24-2
202121-24-2 | Carbamodithioic acid, N-[2-(1H-indol-3-yl)ethyl]-, methyl ester
CAS No: 202121-24-2 Catalog No: AG00282M MDL No:
Product Description
Catalog Number:
AG00282M
Chemical Name:
Carbamodithioic acid, N-[2-(1H-indol-3-yl)ethyl]-, methyl ester
CAS Number:
202121-24-2
Molecular Formula:
C12H14N2S2
Molecular Weight:
250.3830
IUPAC Name:
methyl N-[2-(1H-indol-3-yl)ethyl]carbamodithioate
InChI:
InChI=1S/C12H14N2S2/c1-16-12(15)13-7-6-9-8-14-11-5-3-2-4-10(9)11/h2-5,8,14H,6-7H2,1H3,(H,13,15)
InChI Key:
YGCLBCUJWRJRPH-UHFFFAOYSA-N
SMILES:
CSC(=S)NCCc1c[nH]c2c1cccc2
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.06g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.378g/mol
Monoisotopic Mass:
250.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Metabolism and metabolites of dithiocarbamates in the plant pathogenic fungus Leptosphaeria maculans. | Journal of agricultural and food chemistry 20120815 |
| Isosteric probes provide structural requirements essential for detoxification of the phytoalexin brassinin by the fungal pathogen Leptosphaeria maculans. | Bioorganic & medicinal chemistry 20070915 |
| Structure-activity study of brassinin derivatives as indoleamine 2,3-dioxygenase inhibitors. | Journal of medicinal chemistry 20060126 |
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