1-(ethylsulfanylmethyl)-3-methyl-5-(propan-2-ylsulfanylmethyl)benzene

C14H22S2 — CID 134511569

IUPAC1-(ethylsulfanylmethyl)-3-methyl-5-(propan-2-ylsulfanylmethyl)benzene
SMILESCCSCc1cc(C)cc(CSC(C)C)c1
InChIInChI=1S/C14H22S2/c1-5-15-9-13-6-12(4)7-14(8-13)10-16-11(2)3/h6-8,11H,5,9-10H2,1-4H3
InChIKeyMNWKVVDKGWPKQF-UHFFFAOYSA-N
MW254.46 g/mol
LogP4.89
Rot. Bonds6

About 1-(ethylsulfanylmethyl)-3-methyl-5-(propan-2-ylsulfanylmethyl)benzene

1-(ethylsulfanylmethyl)-3-methyl-5-(propan-2-ylsulfanylmethyl)benzene (PubChem CID 134511569) has the molecular formula C14H22S2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-(ethylsulfanylmethyl)-3-methyl-5-(propan-2-ylsulfanylmethyl)benzene.

Molecular Properties

Compound Name1-(ethylsulfanylmethyl)-3-methyl-5-(propan-2-ylsulfanylmethyl)benzene
PubChem CID134511569
Molecular FormulaC14H22S2
Molecular Weight254.46 g/mol
Exact Mass254.12
IUPAC Name1-(ethylsulfanylmethyl)-3-methyl-5-(propan-2-ylsulfanylmethyl)benzene
SMILESCCSCc1cc(C)cc(CSC(C)C)c1
InChIInChI=1S/C14H22S2/c1-5-15-9-13-6-12(4)7-14(8-13)10-16-11(2)3/h6-8,11H,5,9-10H2,1-4H3
InChIKeyMNWKVVDKGWPKQF-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylsulfanylmethyl)-3-methyl-5-(propan-2-ylsulfanylmethyl)benzene?
The IUPAC name of 1-(ethylsulfanylmethyl)-3-methyl-5-(propan-2-ylsulfanylmethyl)benzene (CID 134511569) is 1-(ethylsulfanylmethyl)-3-methyl-5-(propan-2-ylsulfanylmethyl)benzene.
What is the SMILES notation for 1-(ethylsulfanylmethyl)-3-methyl-5-(propan-2-ylsulfanylmethyl)benzene?
The canonical SMILES for 1-(ethylsulfanylmethyl)-3-methyl-5-(propan-2-ylsulfanylmethyl)benzene is CCSCc1cc(C)cc(CSC(C)C)c1.
What is the InChIKey of 1-(ethylsulfanylmethyl)-3-methyl-5-(propan-2-ylsulfanylmethyl)benzene?
The InChIKey is MNWKVVDKGWPKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22S2/c1-5-15-9-13-6-12(4)7-14(8-13)10-16-11(2)3/h6-8,11H,5,9-10H2,1-4H3.
What are the key properties of 1-(ethylsulfanylmethyl)-3-methyl-5-(propan-2-ylsulfanylmethyl)benzene?
1-(ethylsulfanylmethyl)-3-methyl-5-(propan-2-ylsulfanylmethyl)benzene has a molecular weight of 254.46 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylsulfanylmethyl)-3-methyl-5-(propan-2-ylsulfanylmethyl)benzene is sourced from PubChem (CID 134511569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).