CID 58544154

C4H9OS — CID 58544154

IUPAC—
SMILES[CH2]S(=O)C(C)C
InChIInChI=1S/C4H9OS/c1-4(2)6(3)5/h4H,3H2,1-2H3
InChIKeyPVGGPCAOFPLKOU-UHFFFAOYSA-N
MW105.18 g/mol
LogP0.94
Rot. Bonds1

About CID 58544154

CID 58544154 (PubChem CID 58544154) has the molecular formula C4H9OS and a molecular weight of 105.18 g/mol.

Molecular Properties

Compound NameCID 58544154
PubChem CID58544154
Molecular FormulaC4H9OS
Molecular Weight105.18 g/mol
Exact Mass105.04
IUPAC Name—
SMILES[CH2]S(=O)C(C)C
InChIInChI=1S/C4H9OS/c1-4(2)6(3)5/h4H,3H2,1-2H3
InChIKeyPVGGPCAOFPLKOU-UHFFFAOYSA-N
XLogP0.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.18
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Propanesulfinothioic acid, S-propyl ester
CID 74761
Diethyl sulfoxide
CID 6263
1,1'-Sulfinylbis(propane)
CID 20252
Isopropyl sulfoxide
CID 16645
InChI=1/C5H12OS2/c1-3-4-5-8(6)7-2/h3-5H2,1-2H
CID 10012106
Ethane, (methylsulfinyl)-
CID 121148
Methyl 1-(methylsulfinyl)propyl disulfide
CID 14704626
tert-Butyl ethyl sulfoxide
CID 141207
i-Butylmethylsulfoxide
CID 12176490
Methyl propyl sulfoxide
CID 123336
tert-Butyl methyl sulfoxide
CID 139684
1-Propanesulfinothioic acid, S-methyl ester
CID 20209223

Frequently Asked Questions

What is the IUPAC name of CID 58544154?
The IUPAC name of CID 58544154 (CID 58544154) is not available.
What is the SMILES notation for CID 58544154?
The canonical SMILES for CID 58544154 is [CH2]S(=O)C(C)C.
What is the InChIKey of CID 58544154?
The InChIKey is PVGGPCAOFPLKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9OS/c1-4(2)6(3)5/h4H,3H2,1-2H3.
What are the key properties of CID 58544154?
CID 58544154 has a molecular weight of 105.18 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58544154 is sourced from PubChem (CID 58544154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).