(4-methylsulfanyl-1,1-dioxothiolan-3-yl)azanium

C5H12NO2S2+ — CID 43827594

IUPAC(4-methylsulfanyl-1,1-dioxothiolan-3-yl)azanium
SMILESCSC1CS(=O)(=O)CC1[NH3+]
InChIInChI=1S/C5H11NO2S2/c1-9-5-3-10(7,8)2-4(5)6/h4-5H,2-3,6H2,1H3/p+1
InChIKeyBIEDUDYYTIJAHA-UHFFFAOYSA-O
MW182.29 g/mol
LogP-1.24
Rot. Bonds1

About (4-methylsulfanyl-1,1-dioxothiolan-3-yl)azanium

(4-methylsulfanyl-1,1-dioxothiolan-3-yl)azanium (PubChem CID 43827594) has the molecular formula C5H12NO2S2+ and a molecular weight of 182.29 g/mol. Its IUPAC name is (4-methylsulfanyl-1,1-dioxothiolan-3-yl)azanium.

Molecular Properties

Compound Name(4-methylsulfanyl-1,1-dioxothiolan-3-yl)azanium
PubChem CID43827594
Molecular FormulaC5H12NO2S2+
Molecular Weight182.29 g/mol
Exact Mass182.03
IUPAC Name(4-methylsulfanyl-1,1-dioxothiolan-3-yl)azanium
SMILESCSC1CS(=O)(=O)CC1[NH3+]
InChIInChI=1S/C5H11NO2S2/c1-9-5-3-10(7,8)2-4(5)6/h4-5H,2-3,6H2,1H3/p+1
InChIKeyBIEDUDYYTIJAHA-UHFFFAOYSA-O
XLogP-1.24
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanyl-1,1-dioxothiolan-3-yl)azanium?
The IUPAC name of (4-methylsulfanyl-1,1-dioxothiolan-3-yl)azanium (CID 43827594) is (4-methylsulfanyl-1,1-dioxothiolan-3-yl)azanium.
What is the SMILES notation for (4-methylsulfanyl-1,1-dioxothiolan-3-yl)azanium?
The canonical SMILES for (4-methylsulfanyl-1,1-dioxothiolan-3-yl)azanium is CSC1CS(=O)(=O)CC1[NH3+].
What is the InChIKey of (4-methylsulfanyl-1,1-dioxothiolan-3-yl)azanium?
The InChIKey is BIEDUDYYTIJAHA-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11NO2S2/c1-9-5-3-10(7,8)2-4(5)6/h4-5H,2-3,6H2,1H3/p+1.
What are the key properties of (4-methylsulfanyl-1,1-dioxothiolan-3-yl)azanium?
(4-methylsulfanyl-1,1-dioxothiolan-3-yl)azanium has a molecular weight of 182.29 g/mol, XLogP of -1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanyl-1,1-dioxothiolan-3-yl)azanium is sourced from PubChem (CID 43827594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).