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56367-27-2 molecular structure
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2-(butan-2-yl)-4,5-dihydro-1,3-thiazole

ChemBase ID: 125293
Molecular Formular: C7H13NS
Molecular Mass: 143.24982
Monoisotopic Mass: 143.07687042
SMILES and InChIs

SMILES:
CCC(C)C1=NCCS1
Canonical SMILES:
CCC(C1=NCCS1)C
InChI:
InChI=1S/C7H13NS/c1-3-6(2)7-8-4-5-9-7/h6H,3-5H2,1-2H3
InChIKey:
SAWWKXMIPYUIBW-UHFFFAOYSA-N

Cite this record

CBID:125293 http://www.chembase.cn/molecule-125293.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(butan-2-yl)-4,5-dihydro-1,3-thiazole
IUPAC Traditional name
2-(sec-butyl)-4,5-dihydro-1,3-thiazole
Synonyms
SBT
2-(1-methylpropyl)-2-thiazoline
2-sec-butyl-2-thiazoline
2-sec-Butyl-4,5-dihydrothiazole
CAS Number
56367-27-2
PubChem SID
162219643
PubChem CID
162148
Chemspider ID
142398
Wikipedia Title
2-sec-Butyl-4,5-dihydrothiazole

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6385636  LogD (pH = 7.4) 2.157442 
Log P 2.1703959  Molar Refractivity 42.6989 cm3
Polarizability 16.709826 Å3 Polar Surface Area 12.36 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Boiling Point
193°C expand Show data source
Flash Point
70.5°C (158.9°F) expand Show data source
Density
1.06 g/cm3 expand Show data source

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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