bis(dimethylamino)sulfanium

C4H13N2S+ — CID 140885130

IUPACbis(dimethylamino)sulfanium
SMILESCN(C)[SH+]N(C)C
InChIInChI=1S/C4H12N2S/c1-5(2)7-6(3)4/h1-4H3/p+1
InChIKeyKOCBDXPTBPQDIB-UHFFFAOYSA-O
MW121.23 g/mol
LogP-0.25
Rot. Bonds2

About bis(dimethylamino)sulfanium

bis(dimethylamino)sulfanium (PubChem CID 140885130) has the molecular formula C4H13N2S+ and a molecular weight of 121.23 g/mol. Its IUPAC name is bis(dimethylamino)sulfanium.

Molecular Properties

Compound Namebis(dimethylamino)sulfanium
PubChem CID140885130
Molecular FormulaC4H13N2S+
Molecular Weight121.23 g/mol
Exact Mass121.08
IUPAC Namebis(dimethylamino)sulfanium
SMILESCN(C)[SH+]N(C)C
InChIInChI=1S/C4H12N2S/c1-5(2)7-6(3)4/h1-4H3/p+1
InChIKeyKOCBDXPTBPQDIB-UHFFFAOYSA-O
XLogP-0.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylmethanamine;phosphane;dihydrochloride
CID 174651183
N-methyl-N-phosphanylmethanamine;phosphane
CID 161234156
trichloranium;N,N-dimethylmethanamine
CID 172718165
CID 174722284
CID 174722284
N,N-dimethylmethanamine;ethane
CID 23120641
N,N-dimethylmethanamine;trihydrochloride
CID 173321410
alumane;N,N-dimethylmethanamine;dihydrochloride
CID 175552455
N,N-dimethylmethanamine;hydrate;tetrahydrofluoride
CID 174375944
CID 59294870
CID 59294870
1,1-dimethylhydrazine
CID 5976
N-methyl-N-polanylmethanamine
CID 150019764
N,N-dimethylthiohydroxylamine
CID 18780471

Frequently Asked Questions

What is the IUPAC name of bis(dimethylamino)sulfanium?
The IUPAC name of bis(dimethylamino)sulfanium (CID 140885130) is bis(dimethylamino)sulfanium.
What is the SMILES notation for bis(dimethylamino)sulfanium?
The canonical SMILES for bis(dimethylamino)sulfanium is CN(C)[SH+]N(C)C.
What is the InChIKey of bis(dimethylamino)sulfanium?
The InChIKey is KOCBDXPTBPQDIB-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H12N2S/c1-5(2)7-6(3)4/h1-4H3/p+1.
What are the key properties of bis(dimethylamino)sulfanium?
bis(dimethylamino)sulfanium has a molecular weight of 121.23 g/mol, XLogP of -0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylamino)sulfanium is sourced from PubChem (CID 140885130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).