0AJ
Summary
Name: | (1R)-1-(ethylsulfanyl)-1-(methylsulfanyl)ethane |
Formula: | C5 H12 S2 |
Formal charge: | 0 |
Formula weight: | 136.279 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (1R)-1-(ethylsulfanyl)-1-(methylsulfanyl)ethane |
OpenEye OEToolkits | 1.5.0 | (1R)-1-ethylsulfanyl-1-methylsulfanyl-ethane |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | S(C)C(SCC)C |
SMILES_CANONICAL | CACTVS | 3.341 | CCS[C@H](C)SC |
SMILES | CACTVS | 3.341 | CCS[CH](C)SC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCS[C@H](C)SC |
SMILES | OpenEye OEToolkits | 1.5.0 | CCSC(C)SC |
InChI | InChI | 1.03 | InChI=1S/C5H12S2/c1-4-7-5(2)6-3/h5H,4H2,1-3H3/t5-/m1/s1 |
InChIKey | InChI | 1.03 | RLVVEDPRNSYGPR-RXMQYKEDSA-N |