Molecule

ID:1985

General Information

Structure

Molecular Formula

C₃H₈N₂S

Molecular Mass

104.17402

Exact Mass

104.04081927

Charge

0

InChI

InChI=1S/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)

InChIKey

VFIZBHJTOHUOEK-UHFFFAOYSA-N

Canonic Smiles

CCSC(=N)N

Isomeric Smiles

CCSC(=N)N

Calculated Properties

JChem

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

-1.7480562

LogD (pH = 7.4)

-1.6819309

Log P

0.6664905

Molar Refractivity

39.7771

Polarizability

11.205958

Polar Surface Area

49.87

Rotatable Bonds

2

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

0.03

LOG S

-1.34

Solubility (Water)

4.77e+00 g/l

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

Click here to submit data

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

References

Bioactivity