[dimethyl(selanyl)-λ4-sulfanyl]methanethioamide

C3H9NS2Se — CID 174817343

IUPAC[dimethyl(selanyl)-λ4-sulfanyl]methanethioamide
SMILESCS(C)([SeH])C(N)=S
InChIInChI=1S/C3H9NS2Se/c1-6(2,7)3(4)5/h7H,1-2H3,(H2,4,5)
InChIKeyFDNMRFLADQBPTM-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.11
Rot. Bonds

About [dimethyl(selanyl)-λ4-sulfanyl]methanethioamide

[dimethyl(selanyl)-λ4-sulfanyl]methanethioamide (PubChem CID 174817343) has the molecular formula C3H9NS2Se and a molecular weight of 202.21 g/mol. Its IUPAC name is [dimethyl(selanyl)-λ4-sulfanyl]methanethioamide.

Molecular Properties

Compound Name[dimethyl(selanyl)-λ4-sulfanyl]methanethioamide
PubChem CID174817343
Molecular FormulaC3H9NS2Se
Molecular Weight202.21 g/mol
Exact Mass202.93
IUPAC Name[dimethyl(selanyl)-λ4-sulfanyl]methanethioamide
SMILESCS(C)([SeH])C(N)=S
InChIInChI=1S/C3H9NS2Se/c1-6(2,7)3(4)5/h7H,1-2H3,(H2,4,5)
InChIKeyFDNMRFLADQBPTM-UHFFFAOYSA-N
XLogP0.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [dimethyl(selanyl)-λ4-sulfanyl]methanethioamide?
The IUPAC name of [dimethyl(selanyl)-λ4-sulfanyl]methanethioamide (CID 174817343) is [dimethyl(selanyl)-λ4-sulfanyl]methanethioamide.
What is the SMILES notation for [dimethyl(selanyl)-λ4-sulfanyl]methanethioamide?
The canonical SMILES for [dimethyl(selanyl)-λ4-sulfanyl]methanethioamide is CS(C)([SeH])C(N)=S.
What is the InChIKey of [dimethyl(selanyl)-λ4-sulfanyl]methanethioamide?
The InChIKey is FDNMRFLADQBPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NS2Se/c1-6(2,7)3(4)5/h7H,1-2H3,(H2,4,5).
What are the key properties of [dimethyl(selanyl)-λ4-sulfanyl]methanethioamide?
[dimethyl(selanyl)-λ4-sulfanyl]methanethioamide has a molecular weight of 202.21 g/mol, XLogP of 0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(selanyl)-λ4-sulfanyl]methanethioamide is sourced from PubChem (CID 174817343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).