CID 91437014

C8H18S2 — CID 91437014

IUPAC—
SMILESCCC(C)C(C)CC.S=S
InChIInChI=1S/C8H18.S2/c1-5-7(3)8(4)6-2;1-2/h7-8H,5-6H2,1-4H3;
InChIKeyZKSWOAFQAJSXSX-UHFFFAOYSA-N
MW178.37 g/mol
LogP3.07
Rot. Bonds3

About CID 91437014

CID 91437014 (PubChem CID 91437014) has the molecular formula C8H18S2 and a molecular weight of 178.37 g/mol.

Molecular Properties

Compound NameCID 91437014
PubChem CID91437014
Molecular FormulaC8H18S2
Molecular Weight178.37 g/mol
Exact Mass178.08
IUPAC Name—
SMILESCCC(C)C(C)CC.S=S
InChIInChI=1S/C8H18.S2/c1-5-7(3)8(4)6-2;1-2/h7-8H,5-6H2,1-4H3;
InChIKeyZKSWOAFQAJSXSX-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-3,4-dimethylhexane;methane
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(4S)-3,4-dimethylhexane;methyliodanuidylmethane
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(4R)-3-ethyl-4-methylhexane
CID 59954491
(3R)-3,4-dimethylheptane
CID 59819300
alumane;2,4,5-trimethylheptane
CID 174508217
ethane;2,4,5-trimethylheptane
CID 142268679
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
(2S,3S)-1-hydroperoxy-2,3-dimethylpentane
CID 59874869
(2R)-N,N,2,3-tetramethylpentan-1-amine
CID 130182039
(4S)-2,3,4-trimethylhexane
CID 58359072
(2S,3S)-2-iodo-3-methylpentane
CID 88913110
(3R,4R,5R,6S)-3,6-dimethyloctane-4,5-diamine
CID 101057431

Frequently Asked Questions

What is the IUPAC name of CID 91437014?
The IUPAC name of CID 91437014 (CID 91437014) is not available.
What is the SMILES notation for CID 91437014?
The canonical SMILES for CID 91437014 is CCC(C)C(C)CC.S=S.
What is the InChIKey of CID 91437014?
The InChIKey is ZKSWOAFQAJSXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.S2/c1-5-7(3)8(4)6-2;1-2/h7-8H,5-6H2,1-4H3;.
What are the key properties of CID 91437014?
CID 91437014 has a molecular weight of 178.37 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91437014 is sourced from PubChem (CID 91437014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).