ethylidenethiourea;thiourea

C4H10N4S2 — CID 173326399

IUPACethylidenethiourea;thiourea
SMILESCC=NC(N)=S.NC(N)=S
InChIInChI=1S/C3H6N2S.CH4N2S/c1-2-5-3(4)6;2-1(3)4/h2H,1H3,(H2,4,6);(H4,2,3,4)
InChIKeyYFMGAMLWYISZIR-UHFFFAOYSA-N
MW178.29 g/mol
LogP-0.49
Rot. Bonds

About ethylidenethiourea;thiourea

ethylidenethiourea;thiourea (PubChem CID 173326399) has the molecular formula C4H10N4S2 and a molecular weight of 178.29 g/mol. Its IUPAC name is ethylidenethiourea;thiourea.

Molecular Properties

Compound Nameethylidenethiourea;thiourea
PubChem CID173326399
Molecular FormulaC4H10N4S2
Molecular Weight178.29 g/mol
Exact Mass178.03
IUPAC Nameethylidenethiourea;thiourea
SMILESCC=NC(N)=S.NC(N)=S
InChIInChI=1S/C3H6N2S.CH4N2S/c1-2-5-3(4)6;2-1(3)4/h2H,1H3,(H2,4,6);(H4,2,3,4)
InChIKeyYFMGAMLWYISZIR-UHFFFAOYSA-N
XLogP-0.49
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.29
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethylidenethiourea;thiourea?
The IUPAC name of ethylidenethiourea;thiourea (CID 173326399) is ethylidenethiourea;thiourea.
What is the SMILES notation for ethylidenethiourea;thiourea?
The canonical SMILES for ethylidenethiourea;thiourea is CC=NC(N)=S.NC(N)=S.
What is the InChIKey of ethylidenethiourea;thiourea?
The InChIKey is YFMGAMLWYISZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2S.CH4N2S/c1-2-5-3(4)6;2-1(3)4/h2H,1H3,(H2,4,6);(H4,2,3,4).
What are the key properties of ethylidenethiourea;thiourea?
ethylidenethiourea;thiourea has a molecular weight of 178.29 g/mol, XLogP of -0.49, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidenethiourea;thiourea is sourced from PubChem (CID 173326399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).