2-methylsulfanyl-2-(2-methylsulfanylthian-2-yl)thiane

C12H22S4 — CID 121015001

IUPAC2-methylsulfanyl-2-(2-methylsulfanylthian-2-yl)thiane
SMILESCSC1(C2(SC)CCCCS2)CCCCS1
InChIInChI=1S/C12H22S4/c1-13-11(7-3-5-9-15-11)12(14-2)8-4-6-10-16-12/h3-10H2,1-2H3
InChIKeyNQPHQBLCZSBRQT-UHFFFAOYSA-N
MW294.58 g/mol
LogP4.94
Rot. Bonds3

About 2-methylsulfanyl-2-(2-methylsulfanylthian-2-yl)thiane

2-methylsulfanyl-2-(2-methylsulfanylthian-2-yl)thiane (PubChem CID 121015001) has the molecular formula C12H22S4 and a molecular weight of 294.58 g/mol. Its IUPAC name is 2-methylsulfanyl-2-(2-methylsulfanylthian-2-yl)thiane.

Molecular Properties

Compound Name2-methylsulfanyl-2-(2-methylsulfanylthian-2-yl)thiane
PubChem CID121015001
Molecular FormulaC12H22S4
Molecular Weight294.58 g/mol
Exact Mass294.06
IUPAC Name2-methylsulfanyl-2-(2-methylsulfanylthian-2-yl)thiane
SMILESCSC1(C2(SC)CCCCS2)CCCCS1
InChIInChI=1S/C12H22S4/c1-13-11(7-3-5-9-15-11)12(14-2)8-4-6-10-16-12/h3-10H2,1-2H3
InChIKeyNQPHQBLCZSBRQT-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.58
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-2-(2-methylsulfanylthian-2-yl)thiane?
The IUPAC name of 2-methylsulfanyl-2-(2-methylsulfanylthian-2-yl)thiane (CID 121015001) is 2-methylsulfanyl-2-(2-methylsulfanylthian-2-yl)thiane.
What is the SMILES notation for 2-methylsulfanyl-2-(2-methylsulfanylthian-2-yl)thiane?
The canonical SMILES for 2-methylsulfanyl-2-(2-methylsulfanylthian-2-yl)thiane is CSC1(C2(SC)CCCCS2)CCCCS1.
What is the InChIKey of 2-methylsulfanyl-2-(2-methylsulfanylthian-2-yl)thiane?
The InChIKey is NQPHQBLCZSBRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22S4/c1-13-11(7-3-5-9-15-11)12(14-2)8-4-6-10-16-12/h3-10H2,1-2H3.
What are the key properties of 2-methylsulfanyl-2-(2-methylsulfanylthian-2-yl)thiane?
2-methylsulfanyl-2-(2-methylsulfanylthian-2-yl)thiane has a molecular weight of 294.58 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-2-(2-methylsulfanylthian-2-yl)thiane is sourced from PubChem (CID 121015001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).