tert-butyl-methyl-diphenyl-λ4-sulfane;propan-1-ol

C20H30OS — CID 144969977

IUPACtert-butyl-methyl-diphenyl-λ4-sulfane;propan-1-ol
SMILESCC(C)(C)S(C)(c1ccccc1)c1ccccc1.CCCO
InChIInChI=1S/C17H22S.C3H8O/c1-17(2,3)18(4,15-11-7-5-8-12-15)16-13-9-6-10-14-16;1-2-3-4/h5-14H,1-4H3;4H,2-3H2,1H3
InChIKeyGPZHMDSSYAUVHI-UHFFFAOYSA-N
MW318.53 g/mol
LogP5.73
Rot. Bonds3

About tert-butyl-methyl-diphenyl-λ4-sulfane;propan-1-ol

tert-butyl-methyl-diphenyl-λ4-sulfane;propan-1-ol (PubChem CID 144969977) has the molecular formula C20H30OS and a molecular weight of 318.53 g/mol. Its IUPAC name is tert-butyl-methyl-diphenyl-λ4-sulfane;propan-1-ol.

Molecular Properties

Compound Nametert-butyl-methyl-diphenyl-λ4-sulfane;propan-1-ol
PubChem CID144969977
Molecular FormulaC20H30OS
Molecular Weight318.53 g/mol
Exact Mass318.20
IUPAC Nametert-butyl-methyl-diphenyl-λ4-sulfane;propan-1-ol
SMILESCC(C)(C)S(C)(c1ccccc1)c1ccccc1.CCCO
InChIInChI=1S/C17H22S.C3H8O/c1-17(2,3)18(4,15-11-7-5-8-12-15)16-13-9-6-10-14-16;1-2-3-4/h5-14H,1-4H3;4H,2-3H2,1H3
InChIKeyGPZHMDSSYAUVHI-UHFFFAOYSA-N
XLogP5.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.53
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(azetidin-3-yl)ethanol;tert-butyl-methyl-diphenyl-λ4-sulfane
CID 168992663
benzoic acid;bis(propan-1-ol)
CID 175024841
hafnium;tris(2-methanidylpropan-2-ylbenzene);propan-1-ol
CID 18688482
benzene;ethane;propan-1-ol
CID 91328540
ditert-butyl(diphenyl)-λ4-sulfane
CID 57066326
tert-butyl(triphenyl)-λ4-sulfane
CID 68720156
benzenesulfonic acid;butan-1-ol
CID 174774031
ethene;propan-1-ol;toluene
CID 20565327
CID 59658493
CID 59658493
dihydroxy-methyl-phenyl-λ4-sulfane
CID 58227647
2-[benzenesulfonyl(ethyl)amino]-2-methylpropanoic acid
CID 62818367
4-methyl-4-phenylheptan-1-ol
CID 90978334

Frequently Asked Questions

What is the IUPAC name of tert-butyl-methyl-diphenyl-λ4-sulfane;propan-1-ol?
The IUPAC name of tert-butyl-methyl-diphenyl-λ4-sulfane;propan-1-ol (CID 144969977) is tert-butyl-methyl-diphenyl-λ4-sulfane;propan-1-ol.
What is the SMILES notation for tert-butyl-methyl-diphenyl-λ4-sulfane;propan-1-ol?
The canonical SMILES for tert-butyl-methyl-diphenyl-λ4-sulfane;propan-1-ol is CC(C)(C)S(C)(c1ccccc1)c1ccccc1.CCCO.
What is the InChIKey of tert-butyl-methyl-diphenyl-λ4-sulfane;propan-1-ol?
The InChIKey is GPZHMDSSYAUVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22S.C3H8O/c1-17(2,3)18(4,15-11-7-5-8-12-15)16-13-9-6-10-14-16;1-2-3-4/h5-14H,1-4H3;4H,2-3H2,1H3.
What are the key properties of tert-butyl-methyl-diphenyl-λ4-sulfane;propan-1-ol?
tert-butyl-methyl-diphenyl-λ4-sulfane;propan-1-ol has a molecular weight of 318.53 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-methyl-diphenyl-λ4-sulfane;propan-1-ol is sourced from PubChem (CID 144969977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).