English
Brassinin
Tính chất: EP
Thương hiệu: Angene
| CAS Number | 105748-59-2 |
| Catalog Number | AG00854O(AGN-PC-0092RH) |
| Chemical Name | Brassinin |
| IUPAC Name | methyl N-(1H-indol-3-ylmethyl)carbamodithioate |
| InChI | InChI=1S/C11H12N2S2/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14) |
| InChI Key | QYKQWFZDEDFELK-UHFFFAOYSA-N |
| MDL Number | MFCD01632490 |
| Molecular Formula | C11H12N2S2 |
| Molecular Weight | 236.3564 |
| SMILES | CSC(=S)NCc1c[nH]c2c1cccc2 |
| UNII | J2IBO1B8VH |
| Synonyms |
brassinin, methyl N-(1H-indol-3-ylmethyl)carbamodithioate, Brassinin, 105748-59-2, Brassinine, Brassinin, 1, Methyl (1H-indol-3-ylmethyl)carbamodithioate, UNII-J2IBO1B8VH, J2IBO1B8VH, CHEBI:38119, methyl N-(1H-indol-3-ylmethyl)carbamodithioate, methyl (1H-indol-3-ylmethyl)dithiocarbamate, methyl (1H-indol-3-yl)methylcarbamodithioate, N-(1H-indol-3-ylmethyl)(methylsulfanyl)carbothioamide, Carbamodithioic acid, (1H-indol-3-ylmethyl)-, methyl ester, CCRIS 7485, AC1MHYXY, UPCMLD-DP058, SCHEMBL849773, CHEMBL373777, Brassinin, >=98% (HPLC), UPCMLD-DP058:001, BDBM24813, CTK8E9080, ZINC2382836, AKOS030255507, CCG-208623, SMP2_000288, NCGC00161625-01, NCGC00161625-02, RT-011810, FT-0663599, SR-05000002163, J-001475, Methyl (1H-indol-3-ylmethyl)carbamodithioate, 9CI, SR-05000002163-2, 1H-(Indol-3-ylmethyl)-dithiocarbamic acid,methyl ester, N-(1H-Indol-3-ylmethyl)carbamodithioic Acid Methyl Ester, BSN, C11-H12-N2-S2, CID3035211, methyl ((1H-indol-3-yl)methyl)carbamodithioate, C089020, |
CHI TIẾT :
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.351g/mol |
| Monoisotopic Mass | 236.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 85.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 |
2.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
| Hazard statements | |
| Precuationary statements | |
| Siginal words |