Name: Name:2-(2-{[2-(dimethylamino)ethyl]sulfanyl}-1,3-thiazol-4-yl)acetic acid
Brand: Angene
SKU: AG01BUAK
Rating: 90 (10 reviews)

2-(2-{[2-(dimethylamino)ethyl]sulfanyl}-1,3-thiazol-4-yl)acetic acid

CAS No.:

1342505-45-6

Catalog Number:

AG01BUAK

Molecular Formula:

C9H14N2O2S2

Molecular Weight:

246.3497

Catalog Number:

AG01BUAK

Chemical Name:

2-(2-{[2-(dimethylamino)ethyl]sulfanyl}-1,3-thiazol-4-yl)acetic acid

CAS Number:

1342505-45-6

Molecular Formula:

C9H14N2O2S2

Molecular Weight:

246.3497

MDL Number:

MFCD20293639

IUPAC Name:

2-[2-[2-(dimethylamino)ethylsulfanyl]-1,3-thiazol-4-yl]acetic acid

InChI:

InChI=1S/C9H14N2O2S2/c1-11(2)3-4-14-9-10-7(6-15-9)5-8(12)13/h6H,3-5H2,1-2H3,(H,12,13)

InChI Key:

RFUKNAHFYMPTMQ-UHFFFAOYSA-N

SMILES:

CN(CCSc1scc(n1)CC(=O)O)C

Complexity:

214

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

246.05g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

246.343g/mol

Monoisotopic Mass:

246.05g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

107A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.9