Name: Name:3-(6-oxo-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid
Brand: Angene
SKU: AG01BCK2
Rating: 90 (10 reviews)

3-(6-oxo-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid

CAS No.:

6972-08-3

Catalog Number:

AG01BCK2

Molecular Formula:

C7H10N2O3S

Molecular Weight:

202.2309

Catalog Number:

AG01BCK2

Chemical Name:

3-(6-oxo-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid

CAS Number:

6972-08-3

Molecular Formula:

C7H10N2O3S

Molecular Weight:

202.2309

MDL Number:

MFCD00067581

IUPAC Name:

3-(6-oxo-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid

InChI:

InChI=1S/C7H10N2O3S/c10-5-1-3-8-7(13)9(5)4-2-6(11)12/h1-4H2,(H,8,13)(H,11,12)

InChI Key:

UZZQWOVEHKRAKZ-UHFFFAOYSA-N

SMILES:

OC(=O)CCN1C(=O)CCNC1=S

NSC Number:

66536

Complexity:

254

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

202.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

202.228g/mol

Monoisotopic Mass:

202.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

102A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.9