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937667-84-0 molecular structure
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4H,5H,6H-cyclopenta[c][1,2]thiazol-3-amine

ChemBase ID: 117212
Molecular Formular: C6H8N2S
Molecular Mass: 140.20612
Monoisotopic Mass: 140.04081927
SMILES and InChIs

SMILES:
c12c(snc1CCC2)N
Canonical SMILES:
Nc1snc2c1CCC2
InChI:
InChI=1S/C6H8N2S/c7-6-4-2-1-3-5(4)8-9-6/h1-3,7H2
InChIKey:
PQLLGFHUNXLZCZ-UHFFFAOYSA-N

Cite this record

CBID:117212 http://www.chembase.cn/molecule-117212.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4H,5H,6H-cyclopenta[c][1,2]thiazol-3-amine
IUPAC Traditional name
4H,5H,6H-cyclopenta[c][1,2]thiazol-3-amine
Synonyms
5,6-dihydro-4H-cyclopenta[c]isothiazol-3-amine
CAS Number
937667-84-0
MDL Number
MFCD09035121
PubChem SID
162102018
PubChem CID
23008745

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23008745 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1078299  LogD (pH = 7.4) 1.1608118 
Log P 1.1615309  Molar Refractivity 38.3167 cm3
Polarizability 13.897852 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
1.272 expand Show data source
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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