CID 163830493

C5H9O3S- — CID 163830493

IUPAC—
SMILESC=[S-](=O)OC1CCOC1
InChIInChI=1S/C5H9O3S/c1-9(6)8-5-2-3-7-4-5/h5H,1-4H2/q-1
InChIKeyLHPCQFXRSNFARV-UHFFFAOYSA-N
MW149.19 g/mol
LogP0.10
Rot. Bonds2

About CID 163830493

CID 163830493 (PubChem CID 163830493) has the molecular formula C5H9O3S- and a molecular weight of 149.19 g/mol.

Molecular Properties

Compound NameCID 163830493
PubChem CID163830493
Molecular FormulaC5H9O3S-
Molecular Weight149.19 g/mol
Exact Mass149.03
IUPAC Name—
SMILESC=[S-](=O)OC1CCOC1
InChIInChI=1S/C5H9O3S/c1-9(6)8-5-2-3-7-4-5/h5H,1-4H2/q-1
InChIKeyLHPCQFXRSNFARV-UHFFFAOYSA-N
XLogP0.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

3-(oxolan-3-yloxy)oxolane
CID 57449306
(3S)-3-[(3S)-oxolan-3-yl]oxyoxolane
CID 142760220
oxolan-3-yloxyphosphane
CID 163403367
2-(oxolan-3-yloxy)acetaldehyde
CID 54518073
[(3S)-oxolan-3-yl] formate
CID 22868233
[(3R)-oxolan-3-yl] nitrite
CID 145031788
[(3R)-oxolan-3-yl] hydrogen carbonate
CID 67122885
oxolan-3-yloxy(sulfanyl)phosphinous acid
CID 167126046
3-(trifluoromethoxy)oxolane
CID 89404846
[(3R)-oxolan-3-yl] 2-amino-2-methylpropanoate
CID 171836010
oxolan-3-yl 2-(hydroxymethyl)prop-2-enoate
CID 126699796
ethane;3-ethoxyoxolane
CID 142523367

Frequently Asked Questions

What is the IUPAC name of CID 163830493?
The IUPAC name of CID 163830493 (CID 163830493) is not available.
What is the SMILES notation for CID 163830493?
The canonical SMILES for CID 163830493 is C=[S-](=O)OC1CCOC1.
What is the InChIKey of CID 163830493?
The InChIKey is LHPCQFXRSNFARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O3S/c1-9(6)8-5-2-3-7-4-5/h5H,1-4H2/q-1.
What are the key properties of CID 163830493?
CID 163830493 has a molecular weight of 149.19 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163830493 is sourced from PubChem (CID 163830493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).