thiourea;1,1,3-trimethylthiourea

C5H14N4S2 — CID 159738783

IUPACthiourea;1,1,3-trimethylthiourea
SMILESCNC(=S)N(C)C.NC(N)=S
InChIInChI=1S/C4H10N2S.CH4N2S/c1-5-4(7)6(2)3;2-1(3)4/h1-3H3,(H,5,7);(H4,2,3,4)
InChIKeyNCEHBWXMBDJUHB-UHFFFAOYSA-N
MW194.33 g/mol
LogP-0.76
Rot. Bonds

About thiourea;1,1,3-trimethylthiourea

thiourea;1,1,3-trimethylthiourea (PubChem CID 159738783) has the molecular formula C5H14N4S2 and a molecular weight of 194.33 g/mol. Its IUPAC name is thiourea;1,1,3-trimethylthiourea.

Molecular Properties

Compound Namethiourea;1,1,3-trimethylthiourea
PubChem CID159738783
Molecular FormulaC5H14N4S2
Molecular Weight194.33 g/mol
Exact Mass194.07
IUPAC Namethiourea;1,1,3-trimethylthiourea
SMILESCNC(=S)N(C)C.NC(N)=S
InChIInChI=1S/C4H10N2S.CH4N2S/c1-5-4(7)6(2)3;2-1(3)4/h1-3H3,(H,5,7);(H4,2,3,4)
InChIKeyNCEHBWXMBDJUHB-UHFFFAOYSA-N
XLogP-0.76
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.33
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 thiourea;1,1,3-trimethylthiourea?
The IUPAC name of thiourea;1,1,3-trimethylthiourea (CID 159738783) is thiourea;1,1,3-trimethylthiourea.
What is the SMILES notation for thiourea;1,1,3-trimethylthiourea?
The canonical SMILES for thiourea;1,1,3-trimethylthiourea is CNC(=S)N(C)C.NC(N)=S.
What is the InChIKey of thiourea;1,1,3-trimethylthiourea?
The InChIKey is NCEHBWXMBDJUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S.CH4N2S/c1-5-4(7)6(2)3;2-1(3)4/h1-3H3,(H,5,7);(H4,2,3,4).
What are the key properties of thiourea;1,1,3-trimethylthiourea?
thiourea;1,1,3-trimethylthiourea has a molecular weight of 194.33 g/mol, XLogP of -0.76, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiourea;1,1,3-trimethylthiourea is sourced from PubChem (CID 159738783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).