CAS 109-46-6|1,3-Dibutyl-2-thiourea|N,N-dibutylthiourea|1,3-dibutylthiourea|DI-tert-BUTYL THIOUREA|N,N'-二正丁基硫脲|N,N'-Di-n-butylthiourea|N,N′-Dibutylthiourea|N,N'-DI-n-BUTYLTHIOUREA|N,N′-二丁基...

General Information

Structure

Molecular Formula

C₉H₂₀N₂S

Molecular Mass

188.3335

Exact Mass

188.13471965

Charge

InChI

InChI=1S/C9H20N2S/c1-3-5-7-10-9(12)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12)

InChIKey

KFFQABQEJATQAT-UHFFFAOYSA-N

Canonic Smiles

CCCCNC(=S)NCCCC

Isomeric Smiles

N(C(=S)NCCCC)CCCC

Calculated Properties

JChem

LogD (pH = 7.4)

2.62

LogD (pH = 5.5)

2.62

Log P

2.62

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

14.34

Polar Surface Area

24.06

Polarizability

23.33

Molar Refractivity

58.67

LOG S

-3.04

Data Source

Names and Identifiers

Synonyms

1,3-Dibutyl-2-thioureaDI-tert-BUTYL THIOUREAN,N'-二正丁基硫脲N,N'-Di-n-butylthioureaN,N′-DibutylthioureaN,N'-DI-n-BUTYLTHIOUREAN,N′-二丁基硫脲DBTUN,N'-dibutylthioureas-dibutylthiourea1,3-Di-n-butyl-2-thiourea1,3-Dibutylthioureasym-dibutylthiourea1,3-Dibutyl-2-thioureaN,N'-di-n-butylthiourea

IUPAC Traditional name

N,N-dibutylthiourea 1,3-dibutyl-2-thiourea

IUPAC name

1,3-dibutylthiourea

Names and Identifiers

Registration numbers

PubChem SID

2489391016205712685338119

Beilstein Number

507434

EC Number

203-674-6