thiadiazole;thiourea

C3H6N4S2 — CID 23334128

IUPACthiadiazole;thiourea
SMILESNC(N)=S.c1csnn1
InChIInChI=1S/C2H2N2S.CH4N2S/c1-2-5-4-3-1;2-1(3)4/h1-2H;(H4,2,3,4)
InChIKeyYOAATWKCTAHYNH-UHFFFAOYSA-N
MW162.24 g/mol
LogP-0.27
Rot. Bonds

About thiadiazole;thiourea

thiadiazole;thiourea (PubChem CID 23334128) has the molecular formula C3H6N4S2 and a molecular weight of 162.24 g/mol. Its IUPAC name is thiadiazole;thiourea.

Molecular Properties

Compound Namethiadiazole;thiourea
PubChem CID23334128
Molecular FormulaC3H6N4S2
Molecular Weight162.24 g/mol
Exact Mass162.00
IUPAC Namethiadiazole;thiourea
SMILESNC(N)=S.c1csnn1
InChIInChI=1S/C2H2N2S.CH4N2S/c1-2-5-4-3-1;2-1(3)4/h1-2H;(H4,2,3,4)
InChIKeyYOAATWKCTAHYNH-UHFFFAOYSA-N
XLogP-0.27
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 thiadiazole;thiourea?
The IUPAC name of thiadiazole;thiourea (CID 23334128) is thiadiazole;thiourea.
What is the SMILES notation for thiadiazole;thiourea?
The canonical SMILES for thiadiazole;thiourea is NC(N)=S.c1csnn1.
What is the InChIKey of thiadiazole;thiourea?
The InChIKey is YOAATWKCTAHYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N2S.CH4N2S/c1-2-5-4-3-1;2-1(3)4/h1-2H;(H4,2,3,4).
What are the key properties of thiadiazole;thiourea?
thiadiazole;thiourea has a molecular weight of 162.24 g/mol, XLogP of -0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazole;thiourea is sourced from PubChem (CID 23334128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).