Name: Name:2-(4-methylpiperidine-1-carbothioylsulfanyl)acetic acid
Brand: Angene
SKU: AG019O42
Rating: 90 (10 reviews)

2-(4-methylpiperidine-1-carbothioylsulfanyl)acetic acid

CAS No.:

6499-12-3

Catalog Number:

AG019O42

Molecular Formula:

C9H15NO2S2

Molecular Weight:

233.3509

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Product Description

Catalog Number:

AG019O42

Chemical Name:

2-(4-methylpiperidine-1-carbothioylsulfanyl)acetic acid

CAS Number:

6499-12-3

Molecular Formula:

C9H15NO2S2

Molecular Weight:

233.3509

MDL Number:

MFCD06655445

IUPAC Name:

2-(4-methylpiperidine-1-carbothioyl)sulfanylacetic acid

InChI:

InChI=1S/C9H15NO2S2/c1-7-2-4-10(5-3-7)9(13)14-6-8(11)12/h7H,2-6H2,1H3,(H,11,12)

InChI Key:

FYAKCSHLBGKNDW-UHFFFAOYSA-N

SMILES:

CC1CCN(CC1)C(=S)SCC(=O)O

Properties

Complexity:

225

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

233.054g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

233.344g/mol

Monoisotopic Mass:

233.054g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

97.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101