1H-pyrimidine-2,4-dithione;1,3,4-thiadiazolidine-2,5-dithione

C6H6N4S5 — CID 159099805

IUPAC1H-pyrimidine-2,4-dithione;1,3,4-thiadiazolidine-2,5-dithione
SMILESS=c1[nH][nH]c(=S)s1.S=c1cc[nH]c(=S)[nH]1
InChIInChI=1S/C4H4N2S2.C2H2N2S3/c7-3-1-2-5-4(8)6-3;5-1-3-4-2(6)7-1/h1-2H,(H2,5,6,7,8);(H,3,5)(H,4,6)
InChIKeyKDDFUGTZBGNMMR-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.67
Rot. Bonds

About 1H-pyrimidine-2,4-dithione;1,3,4-thiadiazolidine-2,5-dithione

1H-pyrimidine-2,4-dithione;1,3,4-thiadiazolidine-2,5-dithione (PubChem CID 159099805) has the molecular formula C6H6N4S5 and a molecular weight of 294.48 g/mol. Its IUPAC name is 1H-pyrimidine-2,4-dithione;1,3,4-thiadiazolidine-2,5-dithione.

Molecular Properties

Compound Name1H-pyrimidine-2,4-dithione;1,3,4-thiadiazolidine-2,5-dithione
PubChem CID159099805
Molecular FormulaC6H6N4S5
Molecular Weight294.48 g/mol
Exact Mass293.92
IUPAC Name1H-pyrimidine-2,4-dithione;1,3,4-thiadiazolidine-2,5-dithione
SMILESS=c1[nH][nH]c(=S)s1.S=c1cc[nH]c(=S)[nH]1
InChIInChI=1S/C4H4N2S2.C2H2N2S3/c7-3-1-2-5-4(8)6-3;5-1-3-4-2(6)7-1/h1-2H,(H2,5,6,7,8);(H,3,5)(H,4,6)
InChIKeyKDDFUGTZBGNMMR-UHFFFAOYSA-N
XLogP3.67
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrimidine-2,4-dithione;1,3,4-thiadiazolidine-2,5-dithione?
The IUPAC name of 1H-pyrimidine-2,4-dithione;1,3,4-thiadiazolidine-2,5-dithione (CID 159099805) is 1H-pyrimidine-2,4-dithione;1,3,4-thiadiazolidine-2,5-dithione.
What is the SMILES notation for 1H-pyrimidine-2,4-dithione;1,3,4-thiadiazolidine-2,5-dithione?
The canonical SMILES for 1H-pyrimidine-2,4-dithione;1,3,4-thiadiazolidine-2,5-dithione is S=c1[nH][nH]c(=S)s1.S=c1cc[nH]c(=S)[nH]1.
What is the InChIKey of 1H-pyrimidine-2,4-dithione;1,3,4-thiadiazolidine-2,5-dithione?
The InChIKey is KDDFUGTZBGNMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2S2.C2H2N2S3/c7-3-1-2-5-4(8)6-3;5-1-3-4-2(6)7-1/h1-2H,(H2,5,6,7,8);(H,3,5)(H,4,6).
What are the key properties of 1H-pyrimidine-2,4-dithione;1,3,4-thiadiazolidine-2,5-dithione?
1H-pyrimidine-2,4-dithione;1,3,4-thiadiazolidine-2,5-dithione has a molecular weight of 294.48 g/mol, XLogP of 3.67, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrimidine-2,4-dithione;1,3,4-thiadiazolidine-2,5-dithione is sourced from PubChem (CID 159099805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).