CID 123373948

C8H18S2 — CID 123373948

IUPAC—
SMILESCCCC(C)(C)CC.S=S
InChIInChI=1S/C8H18.S2/c1-5-7-8(3,4)6-2;1-2/h5-7H2,1-4H3;
InChIKeyMLVPWOZWYKNFKY-UHFFFAOYSA-N
MW178.37 g/mol
LogP3.22
Rot. Bonds3

About CID 123373948

CID 123373948 (PubChem CID 123373948) has the molecular formula C8H18S2 and a molecular weight of 178.37 g/mol.

Molecular Properties

Compound NameCID 123373948
PubChem CID123373948
Molecular FormulaC8H18S2
Molecular Weight178.37 g/mol
Exact Mass178.08
IUPAC Name—
SMILESCCCC(C)(C)CC.S=S
InChIInChI=1S/C8H18.S2/c1-5-7-8(3,4)6-2;1-2/h5-7H2,1-4H3;
InChIKeyMLVPWOZWYKNFKY-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.37
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethylhexane
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3,3,9,9-tetramethylundecane
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3,3,19,19-tetramethylhenicosane
CID 123780647
3,3-dimethylpentadecane
CID 86034940
3,3-dimethyloctane;ethane
CID 145013248
3,3-dimethyldodecane
CID 15930786
3,3-dimethylhexane;1-methylpyrrole-2,5-dione
CID 142903150
2-(2,2-dimethylbutyl)-3-(2,2-dimethylpentyl)oxirane
CID 123952297
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;propane
CID 90942978

Frequently Asked Questions

What is the IUPAC name of CID 123373948?
The IUPAC name of CID 123373948 (CID 123373948) is not available.
What is the SMILES notation for CID 123373948?
The canonical SMILES for CID 123373948 is CCCC(C)(C)CC.S=S.
What is the InChIKey of CID 123373948?
The InChIKey is MLVPWOZWYKNFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.S2/c1-5-7-8(3,4)6-2;1-2/h5-7H2,1-4H3;.
What are the key properties of CID 123373948?
CID 123373948 has a molecular weight of 178.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123373948 is sourced from PubChem (CID 123373948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).