Brassinin

Brassinin

Tính chất: EP

Thương hiệu: Angene

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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,

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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

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