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439692-51-0 molecular structure
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6-ethyl-4-hydrazinylthieno[2,3-d]pyrimidine

ChemBase ID: 120361
Molecular Formular: C8H10N4S
Molecular Mass: 194.2568
Monoisotopic Mass: 194.06261734
SMILES and InChIs

SMILES:
c12c(sc(c1)CC)ncnc2NN
Canonical SMILES:
CCc1sc2c(c1)c(NN)ncn2
InChI:
InChI=1S/C8H10N4S/c1-2-5-3-6-7(12-9)10-4-11-8(6)13-5/h3-4H,2,9H2,1H3,(H,10,11,12)
InChIKey:
BNTVYPPAVREZHM-UHFFFAOYSA-N

Cite this record

CBID:120361 http://www.chembase.cn/molecule-120361.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-ethyl-4-hydrazinylthieno[2,3-d]pyrimidine
IUPAC Traditional name
6-ethyl-4-hydrazinylthieno[2,3-d]pyrimidine
Synonyms
6-ethyl-4-hydrazinylthieno[2,3-d]pyrimidine
6-Ethyl-4-hydrazinothieno[2,3-d]pyrimidine
6-ethyl-4-hydrazinothieno[2,3-d]pyrimidine
CAS Number
439692-51-0
MDL Number
MFCD03303485
PubChem SID
162214714
PubChem CID
950118

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 950118 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.708021  H Acceptors
H Donor LogD (pH = 5.5) 2.3460658 
LogD (pH = 7.4) 2.369446  Log P 2.369752 
Molar Refractivity 55.6155 cm3 Polarizability 20.224186 Å3
Polar Surface Area 63.83 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Empirical Formula (Hill Notation)
C8H10N4S expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - CBR00566 external link
Other Notes
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Legal Information
Product of ChemBridge Corp.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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