1-tert-butylsulfanyl-3-imidazol-1-ylpropan-2-ol

C10H18N2OS — CID 21423950

IUPAC1-tert-butylsulfanyl-3-imidazol-1-ylpropan-2-ol
SMILESCC(C)(C)SCC(O)Cn1ccnc1
InChIInChI=1S/C10H18N2OS/c1-10(2,3)14-7-9(13)6-12-5-4-11-8-12/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyFWGIQLKKHKUAOH-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.78
Rot. Bonds4

About 1-tert-butylsulfanyl-3-imidazol-1-ylpropan-2-ol

1-tert-butylsulfanyl-3-imidazol-1-ylpropan-2-ol (PubChem CID 21423950) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-3-imidazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-tert-butylsulfanyl-3-imidazol-1-ylpropan-2-ol
PubChem CID21423950
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1-tert-butylsulfanyl-3-imidazol-1-ylpropan-2-ol
SMILESCC(C)(C)SCC(O)Cn1ccnc1
InChIInChI=1S/C10H18N2OS/c1-10(2,3)14-7-9(13)6-12-5-4-11-8-12/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyFWGIQLKKHKUAOH-UHFFFAOYSA-N
XLogP1.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-3-imidazol-1-ylpropan-2-ol?
The IUPAC name of 1-tert-butylsulfanyl-3-imidazol-1-ylpropan-2-ol (CID 21423950) is 1-tert-butylsulfanyl-3-imidazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-tert-butylsulfanyl-3-imidazol-1-ylpropan-2-ol?
The canonical SMILES for 1-tert-butylsulfanyl-3-imidazol-1-ylpropan-2-ol is CC(C)(C)SCC(O)Cn1ccnc1.
What is the InChIKey of 1-tert-butylsulfanyl-3-imidazol-1-ylpropan-2-ol?
The InChIKey is FWGIQLKKHKUAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-10(2,3)14-7-9(13)6-12-5-4-11-8-12/h4-5,8-9,13H,6-7H2,1-3H3.
What are the key properties of 1-tert-butylsulfanyl-3-imidazol-1-ylpropan-2-ol?
1-tert-butylsulfanyl-3-imidazol-1-ylpropan-2-ol has a molecular weight of 214.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-3-imidazol-1-ylpropan-2-ol is sourced from PubChem (CID 21423950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).