ZBT

2-[(1S)-1-methylpropyl]-4,5-dihydro-1,3-thiazole

Created:2009-12-16
Last modified:  2021-03-13

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count1
Bond Count22
Aromatic Bond Count0
2D diagram of ZBT

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Chemical Component Summary

Name2-[(1S)-1-methylpropyl]-4,5-dihydro-1,3-thiazole
Synonyms2-sec-butyl-4,5-dihydrothiazole
Systematic Name (OpenEye OEToolkits)2-[(2S)-butan-2-yl]-4,5-dihydro-1,3-thiazole
FormulaC7 H13 N S
Molecular Weight143.25
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.352CC[CH](C)C1=NCCS1
SMILESOpenEye OEToolkits1.7.0CCC(C)C1=NCCS1
Canonical SMILESCACTVS3.352 CC[C@H](C)C1=NCCS1
Canonical SMILESOpenEye OEToolkits1.7.0 CC[C@H](C)C1=NCCS1
InChIInChI1.03 InChI=1S/C7H13NS/c1-3-6(2)7-8-4-5-9-7/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyInChI1.03 SAWWKXMIPYUIBW-LURJTMIESA-N

Related Resource References

Resource NameReference
PubChem 11073538