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74901-69-2 molecular structure
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2,4-dichloro-6H,7H-thieno[3,2-d]pyrimidine

ChemBase ID: 180307
Molecular Formular: C6H4Cl2N2S
Molecular Mass: 207.08036
Monoisotopic Mass: 205.9472245
SMILES and InChIs

SMILES:
c1(nc2c(c(n1)Cl)SCC2)Cl
Canonical SMILES:
Clc1nc(Cl)c2c(n1)CCS2
InChI:
InChI=1S/C6H4Cl2N2S/c7-5-4-3(1-2-11-4)9-6(8)10-5/h1-2H2
InChIKey:
CUVQFHMQHBMFCI-UHFFFAOYSA-N

Cite this record

CBID:180307 http://www.chembase.cn/molecule-180307.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dichloro-6H,7H-thieno[3,2-d]pyrimidine
IUPAC Traditional name
2,4-dichloro-6H,7H-thieno[3,2-d]pyrimidine
Synonyms
2,4-Dichloro-6,7-dihyrothieno[3,2-d]pyrimidine
2,4-Dichloro-6,7-dihydrothieno[3,2-d]pyrimidine
CAS Number
74901-69-2
MDL Number
MFCD11109461
PubChem SID
164236217
PubChem CID
45789967

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 45789967 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3766587  LogD (pH = 7.4) 2.3766587 
Log P 2.3766587  Molar Refractivity 49.6269 cm3
Polarizability 18.518093 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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