Name: Name:methyl 2-(4-amino-1,1-dioxo-1lambda6-thian-4-yl)acetate
Brand: Angene
SKU: AG01B153
Rating: 90 (10 reviews)

methyl 2-(4-amino-1,1-dioxo-1lambda6-thian-4-yl)acetate

CAS No.:

1519658-09-3

Catalog Number:

AG01B153

Molecular Formula:

C8H15NO4S

Molecular Weight:

221.2740

Catalog Number:

AG01B153

Chemical Name:

methyl 2-(4-amino-1,1-dioxo-1lambda6-thian-4-yl)acetate

CAS Number:

1519658-09-3

Molecular Formula:

C8H15NO4S

Molecular Weight:

221.2740

MDL Number:

MFCD23782381

IUPAC Name:

methyl 2-(4-amino-1,1-dioxothian-4-yl)acetate

InChI:

InChI=1S/C8H15NO4S/c1-13-7(10)6-8(9)2-4-14(11,12)5-3-8/h2-6,9H2,1H3

InChI Key:

IEHAJRMDJQJEBS-UHFFFAOYSA-N

SMILES:

COC(=O)CC1(N)CCS(=O)(=O)CC1

Complexity:

303

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

221.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

221.271g/mol

Monoisotopic Mass:

221.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.6