Molecule

ID:65252

General Information

Structure

MolImage

Molecular Formula

C₄H₉NS

Molecular Mass

103.18596

Exact Mass

103.04557029

Charge

0

InChI

InChI=1S/C4H9NS/c1-4(5)2-6-3-4/h2-3,5H2,1H3

InChIKey

RBHLHYVXPUQTPN-UHFFFAOYSA-N

Canonic Smiles

CC1(N)CSC1

Isomeric Smiles

C1(CSC1)(C)N

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-2.929559

LogD (pH = 7.4)

-2.1667402

Log P

0.07604364

Molar Refractivity

29.5873

Polarizability

11.959849

Polar Surface Area

26.02

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity