Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID00186999

Structure

InChI Key SWGUWWDKZWLJLN-RGMNGODLSA-N
Smiles Cl.COC(=O)C(N)CSCNC(=O)C
InChI
InChI=1S/C7H14N2O3S/c1-5(10)9-4-13-3-6(8)7(11)12-2/h6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14N2O3S1
Molecular Weight 206.07
AlogP 0.15
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 84.91
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 33375-68-7
NORMAN SUSDAT
PubChem 56843181
ChemSpider 21229847.0