carbamodithioic acid;selane

CH5NS2Se — CID 174428895

IUPACcarbamodithioic acid;selane
SMILESNC(=S)S.[SeH2]
InChIInChI=1S/CH3NS2.H2Se/c2-1(3)4;/h(H3,2,3,4);1H2
InChIKeyUMHUVHRKSIYJKH-UHFFFAOYSA-N
MW174.15 g/mol
LogP-0.76
Rot. Bonds

About carbamodithioic acid;selane

carbamodithioic acid;selane (PubChem CID 174428895) has the molecular formula CH5NS2Se and a molecular weight of 174.15 g/mol. Its IUPAC name is carbamodithioic acid;selane.

Molecular Properties

Compound Namecarbamodithioic acid;selane
PubChem CID174428895
Molecular FormulaCH5NS2Se
Molecular Weight174.15 g/mol
Exact Mass174.90
IUPAC Namecarbamodithioic acid;selane
SMILESNC(=S)S.[SeH2]
InChIInChI=1S/CH3NS2.H2Se/c2-1(3)4;/h(H3,2,3,4);1H2
InChIKeyUMHUVHRKSIYJKH-UHFFFAOYSA-N
XLogP-0.76
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 157375712
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CID 172737064
carbamodithioic acid;hydroiodide
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barium(2+);carbamodithioic acid;hydride
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carbamodithioic acid;oxomolybdenum;sulfane
CID 174360414
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CID 71434937
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Frequently Asked Questions

What is the IUPAC name of carbamodithioic acid;selane?
The IUPAC name of carbamodithioic acid;selane (CID 174428895) is carbamodithioic acid;selane.
What is the SMILES notation for carbamodithioic acid;selane?
The canonical SMILES for carbamodithioic acid;selane is NC(=S)S.[SeH2].
What is the InChIKey of carbamodithioic acid;selane?
The InChIKey is UMHUVHRKSIYJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NS2.H2Se/c2-1(3)4;/h(H3,2,3,4);1H2.
What are the key properties of carbamodithioic acid;selane?
carbamodithioic acid;selane has a molecular weight of 174.15 g/mol, XLogP of -0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbamodithioic acid;selane is sourced from PubChem (CID 174428895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).