2,2,3,3-tetramethylthiane

C9H18S — CID 54205534

IUPAC2,2,3,3-tetramethylthiane
SMILESCC1(C)CCCSC1(C)C
InChIInChI=1S/C9H18S/c1-8(2)6-5-7-10-9(8,3)4/h5-7H2,1-4H3
InChIKeyPSFKRBJAYVKUID-UHFFFAOYSA-N
MW158.31 g/mol
LogP3.32
Rot. Bonds

About 2,2,3,3-tetramethylthiane

2,2,3,3-tetramethylthiane (PubChem CID 54205534) has the molecular formula C9H18S and a molecular weight of 158.31 g/mol. Its IUPAC name is 2,2,3,3-tetramethylthiane.

Molecular Properties

Compound Name2,2,3,3-tetramethylthiane
PubChem CID54205534
Molecular FormulaC9H18S
Molecular Weight158.31 g/mol
Exact Mass158.11
IUPAC Name2,2,3,3-tetramethylthiane
SMILESCC1(C)CCCSC1(C)C
InChIInChI=1S/C9H18S/c1-8(2)6-5-7-10-9(8,3)4/h5-7H2,1-4H3
InChIKeyPSFKRBJAYVKUID-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2H-Thiopyran, 4-(1,1-dimethylethyl)tetrahydro-
CID 423307
2,4,4-Trimethylthiane
CID 21720055
3,3,5-Trimethylthiane
CID 21720059
2,2,4-Trimethylthiane
CID 21720163
2-Tert-butylthiane
CID 13702221
4-Tert-butylthian-1-ium
CID 58542117
4-Propan-2-ylthiane
CID 58824251
Hexamethyldisilylthiane
CID 129673566
2,5-Ditert-butyl-4,6-dimethyl-1,3-dithiane
CID 303712
(2S)-2-tert-butylthiane
CID 5497081
1,5,5-Trimethyl-3-thiabicyclo[4.1.0]heptane
CID 13212214
1-Methyl-4-propan-2-ylthian-1-ium
CID 21679575

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethylthiane?
The IUPAC name of 2,2,3,3-tetramethylthiane (CID 54205534) is 2,2,3,3-tetramethylthiane.
What is the SMILES notation for 2,2,3,3-tetramethylthiane?
The canonical SMILES for 2,2,3,3-tetramethylthiane is CC1(C)CCCSC1(C)C.
What is the InChIKey of 2,2,3,3-tetramethylthiane?
The InChIKey is PSFKRBJAYVKUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18S/c1-8(2)6-5-7-10-9(8,3)4/h5-7H2,1-4H3.
What are the key properties of 2,2,3,3-tetramethylthiane?
2,2,3,3-tetramethylthiane has a molecular weight of 158.31 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethylthiane is sourced from PubChem (CID 54205534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).