CID 140573608

C8H16O3S — CID 140573608

IUPAC—
SMILESCOC1CCC(C)CC1[SH+](=O)[O-]
InChIInChI=1S/C8H16O3S/c1-6-3-4-7(11-2)8(5-6)12(9)10/h6-8,12H,3-5H2,1-2H3
InChIKeyNQSKJRWIGKIMQB-UHFFFAOYSA-N
MW192.28 g/mol
LogP1.02
Rot. Bonds2

About CID 140573608

CID 140573608 (PubChem CID 140573608) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol.

Molecular Properties

Compound NameCID 140573608
PubChem CID140573608
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name—
SMILESCOC1CCC(C)CC1[SH+](=O)[O-]
InChIInChI=1S/C8H16O3S/c1-6-3-4-7(11-2)8(5-6)12(9)10/h6-8,12H,3-5H2,1-2H3
InChIKeyNQSKJRWIGKIMQB-UHFFFAOYSA-N
XLogP1.02
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(1R,2R,4S)-2-methoxy-1,4-dimethylcyclohexane
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2-methoxycyclobutane-1-carboxylic acid
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(3R)-1,3-dimethylcyclopentane
CID 13119651
1,3,6,8-tetramethylcyclodecane
CID 162455053
2-methoxy-4-methyl-1-prop-2-ynoxycyclohexane
CID 144854044
trans-(1S,2S)-1-methoxy-2-methylcyclopropane
CID 176834458
1-methoxy-2-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
CID 137428508
1-(2-methoxy-5-methylcyclohexyl)-2-piperidin-1-ylethenol
CID 163158016
(4-methyl-2-methylsulfonyloxycyclohexyl) methanesulfonate
CID 101451138
propane;trans-(1S,3S)-1-methoxy-3-methylcyclopentane
CID 144913031
(1S,2S,3S)-1-methoxy-2,3-dimethylcyclopentane
CID 166889412
1,2-dimethoxy-3-methylcyclopentane
CID 57086988

Frequently Asked Questions

What is the IUPAC name of CID 140573608?
The IUPAC name of CID 140573608 (CID 140573608) is not available.
What is the SMILES notation for CID 140573608?
The canonical SMILES for CID 140573608 is COC1CCC(C)CC1[SH+](=O)[O-].
What is the InChIKey of CID 140573608?
The InChIKey is NQSKJRWIGKIMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-6-3-4-7(11-2)8(5-6)12(9)10/h6-8,12H,3-5H2,1-2H3.
What are the key properties of CID 140573608?
CID 140573608 has a molecular weight of 192.28 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140573608 is sourced from PubChem (CID 140573608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).