CID 71762679

C6H7OS — CID 71762679

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-/m0/s1
InChIKeyKYCMPHCWJXJREX-QMMMGPOBSA-N
MW127.19 g/mol
LogP0.73
Rot. Bonds1

About CID 71762679

CID 71762679 (PubChem CID 71762679) has the molecular formula C6H7OS and a molecular weight of 127.19 g/mol.

Molecular Properties

Compound NameCID 71762679
PubChem CID71762679
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-/m0/s1
InChIKeyKYCMPHCWJXJREX-QMMMGPOBSA-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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Frequently Asked Questions

What is the IUPAC name of CID 71762679?
The IUPAC name of CID 71762679 (CID 71762679) is not available.
What is the SMILES notation for CID 71762679?
The canonical SMILES for CID 71762679 is C[S@](=O)[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 71762679?
The InChIKey is KYCMPHCWJXJREX-QMMMGPOBSA-N. The full InChI is InChI=1S/C6H7OS/c1-8(7)6-4-2-3-5-6/h2-5H,1H3/t8-/m0/s1.
What are the key properties of CID 71762679?
CID 71762679 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 71762679 is sourced from PubChem (CID 71762679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).