CID 134898999

C6H7OS — CID 134898999

IUPAC—
SMILESC[S@@](=O)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C6H7OS/c1-8(7)6-4-2-3-5-6/h2-5H,1H3/t8-/m1/s1
InChIKeyKYCMPHCWJXJREX-MRVPVSSYSA-N
MW127.19 g/mol
LogP0.73
Rot. Bonds1

About CID 134898999

CID 134898999 (PubChem CID 134898999) has the molecular formula C6H7OS and a molecular weight of 127.19 g/mol.

Molecular Properties

Compound NameCID 134898999
PubChem CID134898999
Molecular FormulaC6H7OS
Molecular Weight127.19 g/mol
Exact Mass127.02
IUPAC Name—
SMILESC[S@@](=O)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C6H7OS/c1-8(7)6-4-2-3-5-6/h2-5H,1H3/t8-/m1/s1
InChIKeyKYCMPHCWJXJREX-MRVPVSSYSA-N
XLogP0.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclopentyl methyl sulfoxide
CID 23631127
1-(Methanesulfinyl)-1-(methylsulfanyl)cyclopentane
CID 13298788
Ethylsulfinylcyclopentane
CID 20828176
CID 10037631
CID 10037631
(R)-(Methylsulfinyl)cyclopentane
CID 11105404
CID 71762679
CID 71762679

Frequently Asked Questions

What is the IUPAC name of CID 134898999?
The IUPAC name of CID 134898999 (CID 134898999) is not available.
What is the SMILES notation for CID 134898999?
The canonical SMILES for CID 134898999 is C[S@@](=O)[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 134898999?
The InChIKey is KYCMPHCWJXJREX-MRVPVSSYSA-N. The full InChI is InChI=1S/C6H7OS/c1-8(7)6-4-2-3-5-6/h2-5H,1H3/t8-/m1/s1.
What are the key properties of CID 134898999?
CID 134898999 has a molecular weight of 127.19 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134898999 is sourced from PubChem (CID 134898999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).