1,3-dimethyl-2-propan-2-yloxy-5-propan-2-ylsulfanylbenzene

C14H22OS — CID 171366141

IUPAC1,3-dimethyl-2-propan-2-yloxy-5-propan-2-ylsulfanylbenzene
SMILESCc1cc(SC(C)C)cc(C)c1OC(C)C
InChIInChI=1S/C14H22OS/c1-9(2)15-14-11(5)7-13(8-12(14)6)16-10(3)4/h7-10H,1-6H3
InChIKeySEBKIOCLMABTAC-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.59
Rot. Bonds4

About 1,3-dimethyl-2-propan-2-yloxy-5-propan-2-ylsulfanylbenzene

1,3-dimethyl-2-propan-2-yloxy-5-propan-2-ylsulfanylbenzene (PubChem CID 171366141) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 1,3-dimethyl-2-propan-2-yloxy-5-propan-2-ylsulfanylbenzene.

Molecular Properties

Compound Name1,3-dimethyl-2-propan-2-yloxy-5-propan-2-ylsulfanylbenzene
PubChem CID171366141
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name1,3-dimethyl-2-propan-2-yloxy-5-propan-2-ylsulfanylbenzene
SMILESCc1cc(SC(C)C)cc(C)c1OC(C)C
InChIInChI=1S/C14H22OS/c1-9(2)15-14-11(5)7-13(8-12(14)6)16-10(3)4/h7-10H,1-6H3
InChIKeySEBKIOCLMABTAC-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3-dimethyl-2-propan-2-yloxy-5-propan-2-ylsulfanylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-propan-2-yloxy-5-propan-2-ylsulfanylbenzene?
The IUPAC name of 1,3-dimethyl-2-propan-2-yloxy-5-propan-2-ylsulfanylbenzene (CID 171366141) is 1,3-dimethyl-2-propan-2-yloxy-5-propan-2-ylsulfanylbenzene.
What is the SMILES notation for 1,3-dimethyl-2-propan-2-yloxy-5-propan-2-ylsulfanylbenzene?
The canonical SMILES for 1,3-dimethyl-2-propan-2-yloxy-5-propan-2-ylsulfanylbenzene is Cc1cc(SC(C)C)cc(C)c1OC(C)C.
What is the InChIKey of 1,3-dimethyl-2-propan-2-yloxy-5-propan-2-ylsulfanylbenzene?
The InChIKey is SEBKIOCLMABTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-9(2)15-14-11(5)7-13(8-12(14)6)16-10(3)4/h7-10H,1-6H3.
What are the key properties of 1,3-dimethyl-2-propan-2-yloxy-5-propan-2-ylsulfanylbenzene?
1,3-dimethyl-2-propan-2-yloxy-5-propan-2-ylsulfanylbenzene has a molecular weight of 238.40 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-propan-2-yloxy-5-propan-2-ylsulfanylbenzene is sourced from PubChem (CID 171366141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).