[(4-ethylpyrimidin-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane

C13H26N2S2 — CID 89375481

IUPAC[(4-ethylpyrimidin-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane
SMILESCCc1ccnc(C(S(C)(C)C)S(C)(C)C)n1
InChIInChI=1S/C13H26N2S2/c1-8-11-9-10-14-12(15-11)13(16(2,3)4)17(5,6)7/h9-10,13H,8H2,1-7H3
InChIKeyLLSZNUNCEFDHRV-UHFFFAOYSA-N
MW274.50 g/mol
LogP3.43
Rot. Bonds4

About [(4-ethylpyrimidin-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane

[(4-ethylpyrimidin-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane (PubChem CID 89375481) has the molecular formula C13H26N2S2 and a molecular weight of 274.50 g/mol. Its IUPAC name is [(4-ethylpyrimidin-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane.

Molecular Properties

Compound Name[(4-ethylpyrimidin-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane
PubChem CID89375481
Molecular FormulaC13H26N2S2
Molecular Weight274.50 g/mol
Exact Mass274.15
IUPAC Name[(4-ethylpyrimidin-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane
SMILESCCc1ccnc(C(S(C)(C)C)S(C)(C)C)n1
InChIInChI=1S/C13H26N2S2/c1-8-11-9-10-14-12(15-11)13(16(2,3)4)17(5,6)7/h9-10,13H,8H2,1-7H3
InChIKeyLLSZNUNCEFDHRV-UHFFFAOYSA-N
XLogP3.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.50
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(4-ethylpyrimidin-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane?
The IUPAC name of [(4-ethylpyrimidin-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane (CID 89375481) is [(4-ethylpyrimidin-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane.
What is the SMILES notation for [(4-ethylpyrimidin-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane?
The canonical SMILES for [(4-ethylpyrimidin-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane is CCc1ccnc(C(S(C)(C)C)S(C)(C)C)n1.
What is the InChIKey of [(4-ethylpyrimidin-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane?
The InChIKey is LLSZNUNCEFDHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S2/c1-8-11-9-10-14-12(15-11)13(16(2,3)4)17(5,6)7/h9-10,13H,8H2,1-7H3.
What are the key properties of [(4-ethylpyrimidin-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane?
[(4-ethylpyrimidin-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane has a molecular weight of 274.50 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-ethylpyrimidin-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane is sourced from PubChem (CID 89375481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).