methanethiol;sulfuryl dibromide

CH4Br2O2S2 — CID 18974430

IUPACmethanethiol;sulfuryl dibromide
SMILESCS.O=S(=O)(Br)Br
InChIInChI=1S/CH4S.Br2O2S/c1-2;1-5(2,3)4/h2H,1H3;
InChIKeyQHHVMBFUYBXHQF-UHFFFAOYSA-N
MW271.98 g/mol
LogP1.57
Rot. Bonds

About methanethiol;sulfuryl dibromide

methanethiol;sulfuryl dibromide (PubChem CID 18974430) has the molecular formula CH4Br2O2S2 and a molecular weight of 271.98 g/mol. Its IUPAC name is methanethiol;sulfuryl dibromide.

Molecular Properties

Compound Namemethanethiol;sulfuryl dibromide
PubChem CID18974430
Molecular FormulaCH4Br2O2S2
Molecular Weight271.98 g/mol
Exact Mass269.80
IUPAC Namemethanethiol;sulfuryl dibromide
SMILESCS.O=S(=O)(Br)Br
InChIInChI=1S/CH4S.Br2O2S/c1-2;1-5(2,3)4/h2H,1H3;
InChIKeyQHHVMBFUYBXHQF-UHFFFAOYSA-N
XLogP1.57
TPSA34.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.98
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methylsulfamoyl bromide
CID 170980885
sulfuryl dibromide;1,1,1-trifluoropropane
CID 175054852
methanethiol;trifluoromethanesulfonic acid
CID 171923949
3-methylbutane-2-sulfonyl bromide
CID 87941804
bromomethanesulfonyl bromide
CID 10977482
bromosulfonyloxyethane
CID 154228998
dibromo(methylsulfonyl)methane
CID 13296766
CID 163486287
CID 163486287
tribromomethanesulfonamide
CID 21445274
manganese;methanethiol
CID 175444745
chromium;methanethiol
CID 88625837
tetrabromo-λ4-sulfane
CID 154113968

Frequently Asked Questions

What is the IUPAC name of methanethiol;sulfuryl dibromide?
The IUPAC name of methanethiol;sulfuryl dibromide (CID 18974430) is methanethiol;sulfuryl dibromide.
What is the SMILES notation for methanethiol;sulfuryl dibromide?
The canonical SMILES for methanethiol;sulfuryl dibromide is CS.O=S(=O)(Br)Br.
What is the InChIKey of methanethiol;sulfuryl dibromide?
The InChIKey is QHHVMBFUYBXHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4S.Br2O2S/c1-2;1-5(2,3)4/h2H,1H3;.
What are the key properties of methanethiol;sulfuryl dibromide?
methanethiol;sulfuryl dibromide has a molecular weight of 271.98 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanethiol;sulfuryl dibromide is sourced from PubChem (CID 18974430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).