dioxido-oxo-sulfanylidene-λ6-sulfane;bis(di(propan-2-yl)azanium)

C12H32N2O3S2 — CID 139061455

IUPACdioxido-oxo-sulfanylidene-λ6-sulfane;bis(di(propan-2-yl)azanium)
SMILESCC(C)[NH2+]C(C)C.CC(C)[NH2+]C(C)C.O=S([O-])([O-])=S
InChIInChI=1S/2C6H15N.H2O3S2/c2*1-5(2)7-6(3)4;1-5(2,3)4/h2*5-7H,1-4H3;(H2,1,2,3,4)
InChIKeyONEMWXBMGVOJKW-UHFFFAOYSA-N
MW316.53 g/mol
LogP-0.27
Rot. Bonds4

About dioxido-oxo-sulfanylidene-λ6-sulfane;bis(di(propan-2-yl)azanium)

dioxido-oxo-sulfanylidene-λ6-sulfane;bis(di(propan-2-yl)azanium) (PubChem CID 139061455) has the molecular formula C12H32N2O3S2 and a molecular weight of 316.53 g/mol. Its IUPAC name is dioxido-oxo-sulfanylidene-λ6-sulfane;bis(di(propan-2-yl)azanium).

Molecular Properties

Compound Namedioxido-oxo-sulfanylidene-λ6-sulfane;bis(di(propan-2-yl)azanium)
PubChem CID139061455
Molecular FormulaC12H32N2O3S2
Molecular Weight316.53 g/mol
Exact Mass316.19
IUPAC Namedioxido-oxo-sulfanylidene-λ6-sulfane;bis(di(propan-2-yl)azanium)
SMILESCC(C)[NH2+]C(C)C.CC(C)[NH2+]C(C)C.O=S([O-])([O-])=S
InChIInChI=1S/2C6H15N.H2O3S2/c2*1-5(2)7-6(3)4;1-5(2,3)4/h2*5-7H,1-4H3;(H2,1,2,3,4)
InChIKeyONEMWXBMGVOJKW-UHFFFAOYSA-N
XLogP-0.27
TPSA96.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.53
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dioxido-oxo-sulfanylidene-λ6-sulfane;bis(di(propan-2-yl)azanium)?
The IUPAC name of dioxido-oxo-sulfanylidene-λ6-sulfane;bis(di(propan-2-yl)azanium) (CID 139061455) is dioxido-oxo-sulfanylidene-λ6-sulfane;bis(di(propan-2-yl)azanium).
What is the SMILES notation for dioxido-oxo-sulfanylidene-λ6-sulfane;bis(di(propan-2-yl)azanium)?
The canonical SMILES for dioxido-oxo-sulfanylidene-λ6-sulfane;bis(di(propan-2-yl)azanium) is CC(C)[NH2+]C(C)C.CC(C)[NH2+]C(C)C.O=S([O-])([O-])=S.
What is the InChIKey of dioxido-oxo-sulfanylidene-λ6-sulfane;bis(di(propan-2-yl)azanium)?
The InChIKey is ONEMWXBMGVOJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H15N.H2O3S2/c2*1-5(2)7-6(3)4;1-5(2,3)4/h2*5-7H,1-4H3;(H2,1,2,3,4).
What are the key properties of dioxido-oxo-sulfanylidene-λ6-sulfane;bis(di(propan-2-yl)azanium)?
dioxido-oxo-sulfanylidene-λ6-sulfane;bis(di(propan-2-yl)azanium) has a molecular weight of 316.53 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido-oxo-sulfanylidene-λ6-sulfane;bis(di(propan-2-yl)azanium) is sourced from PubChem (CID 139061455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).