(carbamothioylamino)carbamodithioic acid

C2H5N3S3 — CID 3033587

IUPAC(carbamothioylamino)carbamodithioic acid
SMILESNC(=S)NNC(=S)S
InChIInChI=1S/C2H5N3S3/c3-1(6)4-5-2(7)8/h(H3,3,4,6)(H2,5,7,8)
InChIKeyWGXQCZBJLRYCHG-UHFFFAOYSA-N
MW167.28 g/mol
LogP-0.46
Rot. Bonds

About (carbamothioylamino)carbamodithioic acid

(carbamothioylamino)carbamodithioic acid (PubChem CID 3033587) has the molecular formula C2H5N3S3 and a molecular weight of 167.28 g/mol. Its IUPAC name is (carbamothioylamino)carbamodithioic acid.

Molecular Properties

Compound Name(carbamothioylamino)carbamodithioic acid
PubChem CID3033587
Molecular FormulaC2H5N3S3
Molecular Weight167.28 g/mol
Exact Mass166.96
IUPAC Name(carbamothioylamino)carbamodithioic acid
SMILESNC(=S)NNC(=S)S
InChIInChI=1S/C2H5N3S3/c3-1(6)4-5-2(7)8/h(H3,3,4,6)(H2,5,7,8)
InChIKeyWGXQCZBJLRYCHG-UHFFFAOYSA-N
XLogP-0.46
TPSA50.08 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'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 (carbamothioylamino)carbamodithioic acid?
The IUPAC name of (carbamothioylamino)carbamodithioic acid (CID 3033587) is (carbamothioylamino)carbamodithioic acid.
What is the SMILES notation for (carbamothioylamino)carbamodithioic acid?
The canonical SMILES for (carbamothioylamino)carbamodithioic acid is NC(=S)NNC(=S)S.
What is the InChIKey of (carbamothioylamino)carbamodithioic acid?
The InChIKey is WGXQCZBJLRYCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N3S3/c3-1(6)4-5-2(7)8/h(H3,3,4,6)(H2,5,7,8).
What are the key properties of (carbamothioylamino)carbamodithioic acid?
(carbamothioylamino)carbamodithioic acid has a molecular weight of 167.28 g/mol, XLogP of -0.46, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (carbamothioylamino)carbamodithioic acid is sourced from PubChem (CID 3033587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).