1-ethylsulfanyl-3,5-di(propan-2-yl)benzene

C14H22S — CID 162469287

IUPAC1-ethylsulfanyl-3,5-di(propan-2-yl)benzene
SMILESCCSc1cc(C(C)C)cc(C(C)C)c1
InChIInChI=1S/C14H22S/c1-6-15-14-8-12(10(2)3)7-13(9-14)11(4)5/h7-11H,6H2,1-5H3
InChIKeyBFAAVXBDDRBABE-UHFFFAOYSA-N
MW222.40 g/mol
LogP5.05
Rot. Bonds4

About 1-ethylsulfanyl-3,5-di(propan-2-yl)benzene

1-ethylsulfanyl-3,5-di(propan-2-yl)benzene (PubChem CID 162469287) has the molecular formula C14H22S and a molecular weight of 222.40 g/mol. Its IUPAC name is 1-ethylsulfanyl-3,5-di(propan-2-yl)benzene.

Molecular Properties

Compound Name1-ethylsulfanyl-3,5-di(propan-2-yl)benzene
PubChem CID162469287
Molecular FormulaC14H22S
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Name1-ethylsulfanyl-3,5-di(propan-2-yl)benzene
SMILESCCSc1cc(C(C)C)cc(C(C)C)c1
InChIInChI=1S/C14H22S/c1-6-15-14-8-12(10(2)3)7-13(9-14)11(4)5/h7-11H,6H2,1-5H3
InChIKeyBFAAVXBDDRBABE-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.40
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-di(propan-2-yl)-5-(2,2,2-trifluoroethylsulfanyl)benzene
CID 162469285
CID 175757661
CID 175757661
magnesium;1,3,5-tri(propan-2-yl)benzene;dibromide
CID 175275405
2,6-diethyl-4-ethylsulfanylpyridine
CID 143252962
3,5-bis(ethylsulfanyl)aniline
CID 10846271
1-ethyl-2-ethylsulfanyl-4-propan-2-ylbenzene
CID 166781432
5-ethylsulfanyl-2-(4-ethylsulfanyl-2,6-diiodophenyl)sulfanyl-1,3-diiodobenzene
CID 139623680
[2,4-bis(ethylsulfanyl)phenyl]boronic acid
CID 68784295
5-ethylsulfanylbenzene-1,3-dicarboxylic acid
CID 70906654
triethyl-[(3-propan-2-ylphenyl)disulfanyl]azanium
CID 174730774
(3-propan-2-yl-5-propan-2-ylsulfanylphenyl)methanol
CID 176584231
1-ethyl-3,5-di(propan-2-yl)pyridin-1-ium
CID 69390119

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-3,5-di(propan-2-yl)benzene?
The IUPAC name of 1-ethylsulfanyl-3,5-di(propan-2-yl)benzene (CID 162469287) is 1-ethylsulfanyl-3,5-di(propan-2-yl)benzene.
What is the SMILES notation for 1-ethylsulfanyl-3,5-di(propan-2-yl)benzene?
The canonical SMILES for 1-ethylsulfanyl-3,5-di(propan-2-yl)benzene is CCSc1cc(C(C)C)cc(C(C)C)c1.
What is the InChIKey of 1-ethylsulfanyl-3,5-di(propan-2-yl)benzene?
The InChIKey is BFAAVXBDDRBABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22S/c1-6-15-14-8-12(10(2)3)7-13(9-14)11(4)5/h7-11H,6H2,1-5H3.
What are the key properties of 1-ethylsulfanyl-3,5-di(propan-2-yl)benzene?
1-ethylsulfanyl-3,5-di(propan-2-yl)benzene has a molecular weight of 222.40 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-3,5-di(propan-2-yl)benzene is sourced from PubChem (CID 162469287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).