carbamodithioic acid;carbonotrithioic acid

C2H5NS5 — CID 88693688

IUPACcarbamodithioic acid;carbonotrithioic acid
SMILESNC(=S)S.S=C(S)S
InChIInChI=1S/CH3NS2.CH2S3/c2*2-1(3)4/h(H3,2,3,4);(H2,2,3,4)
InChIKeyFJYHSIAXIWKPIA-UHFFFAOYSA-N
MW203.40 g/mol
LogP1.29
Rot. Bonds

About carbamodithioic acid;carbonotrithioic acid

carbamodithioic acid;carbonotrithioic acid (PubChem CID 88693688) has the molecular formula C2H5NS5 and a molecular weight of 203.40 g/mol. Its IUPAC name is carbamodithioic acid;carbonotrithioic acid.

Molecular Properties

Compound Namecarbamodithioic acid;carbonotrithioic acid
PubChem CID88693688
Molecular FormulaC2H5NS5
Molecular Weight203.40 g/mol
Exact Mass202.90
IUPAC Namecarbamodithioic acid;carbonotrithioic acid
SMILESNC(=S)S.S=C(S)S
InChIInChI=1S/CH3NS2.CH2S3/c2*2-1(3)4/h(H3,2,3,4);(H2,2,3,4)
InChIKeyFJYHSIAXIWKPIA-UHFFFAOYSA-N
XLogP1.29
TPSA26.02 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.40
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbamodithioic acid;carbonotrithioic acid?
The IUPAC name of carbamodithioic acid;carbonotrithioic acid (CID 88693688) is carbamodithioic acid;carbonotrithioic acid.
What is the SMILES notation for carbamodithioic acid;carbonotrithioic acid?
The canonical SMILES for carbamodithioic acid;carbonotrithioic acid is NC(=S)S.S=C(S)S.
What is the InChIKey of carbamodithioic acid;carbonotrithioic acid?
The InChIKey is FJYHSIAXIWKPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NS2.CH2S3/c2*2-1(3)4/h(H3,2,3,4);(H2,2,3,4).
What are the key properties of carbamodithioic acid;carbonotrithioic acid?
carbamodithioic acid;carbonotrithioic acid has a molecular weight of 203.40 g/mol, XLogP of 1.29, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamodithioic acid;carbonotrithioic acid is sourced from PubChem (CID 88693688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).