UXS

(2S)-2-amino-4-(methylsulfanyl)butan-1-ol

Created: 2020-06-04
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count21
Chiral Atom Count1
Bond Count20
Aromatic Bond Count0
2D diagram of UXS

Chemical Component Summary

Name(2S)-2-amino-4-(methylsulfanyl)butan-1-ol
Systematic Name (OpenEye OEToolkits)(2~{S})-2-azanyl-4-methylsulfanyl-butan-1-ol
FormulaC5 H13 N O S
Molecular Weight135.228
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01C(C(N)CCSC)O
SMILESCACTVS3.385CSCC[CH](N)CO
SMILESOpenEye OEToolkits2.0.7CSCCC(CO)N
Canonical SMILESCACTVS3.385 CSCC[C@H](N)CO
Canonical SMILESOpenEye OEToolkits2.0.7 CSCC[C@@H](CO)N
InChIInChI1.03 InChI=1S/C5H13NOS/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m0/s1
InChIKeyInChI1.03 MIQJGZAEWQQAPN-YFKPBYRVSA-N

Related Resource References

Resource NameReference
PubChem 2724404