CAS 40106-45-4|4-hydrazino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine|3-hydrazinyl-8-thia-4,6-diazatricyclo[7.4.0.0?,?]trideca-1(9),2,4,6-tetraene|3-hydrazinyl-8-thia-4,6-diazatricyclo[7.4.0....

General Information

Structure

Molecular Formula

C₁₀H₁₂N₄S

Molecular Mass

220.29408

Exact Mass

220.0782674

Charge

InChI

InChI=1S/C10H12N4S/c11-14-9-8-6-3-1-2-4-7(6)15-10(8)13-5-12-9/h5H,1-4,11H2,(H,12,13,14)

InChIKey

RLYKRTXCPRRQST-UHFFFAOYSA-N

Canonic Smiles

NNc1ncnc2c1c1CCCCc1s2

Isomeric Smiles

s1c2c(CCCC2)c2c1ncnc2NN

Calculated Properties

JChem

Acid pKa

18.567001

H Acceptors

H Donor

LogD (pH = 5.5)

2.8457904

LogD (pH = 7.4)

2.8637822

Log P

2.864016

Molar Refractivity

63.4555

Polarizability

23.094168

Polar Surface Area

63.83

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

3-hydrazinyl-8-thia-4,6-diazatricyclo[7.4.0.0?,?]trideca-1(9),2,4,6-tetraene 3-hydrazinyl-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2,4,6-tetraene

Synonyms

4-hydrazino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine4-Hydrazino-5,6,7,8-tetrahydro-[1]benzothieno[2,3-d]pyrimidine4-hydrazinyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine

IUPAC Traditional name

3-hydrazinyl-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2,4,6-tetraene 3-hydrazinyl-8-thia-4,6-diazatricyclo[7.4.0.0?,?]trideca-1(9),2,4,6-tetraene

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Registration numbers

Properties