AG00854O

Name: brassinin
Brand: Angene Chemical
SKU: AG00854O

105748-59-2 | brassinin

AG00854O

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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	N1C=C(C2=CC=CC=C12)CNC(=S)SC
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,

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

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited