N-carbamothioylacetamide;prop-2-enylthiourea

C7H14N4OS2 — CID 174513700

IUPACN-carbamothioylacetamide;prop-2-enylthiourea
SMILESC=CCNC(N)=S.CC(=O)NC(N)=S
InChIInChI=1S/C4H8N2S.C3H6N2OS/c1-2-3-6-4(5)7;1-2(6)5-3(4)7/h2H,1,3H2,(H3,5,6,7);1H3,(H3,4,5,6,7)
InChIKeyPDBNQCYGYFXGKS-UHFFFAOYSA-N
MW234.35 g/mol
LogP-0.63
Rot. Bonds2

About N-carbamothioylacetamide;prop-2-enylthiourea

N-carbamothioylacetamide;prop-2-enylthiourea (PubChem CID 174513700) has the molecular formula C7H14N4OS2 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-carbamothioylacetamide;prop-2-enylthiourea.

Molecular Properties

Compound NameN-carbamothioylacetamide;prop-2-enylthiourea
PubChem CID174513700
Molecular FormulaC7H14N4OS2
Molecular Weight234.35 g/mol
Exact Mass234.06
IUPAC NameN-carbamothioylacetamide;prop-2-enylthiourea
SMILESC=CCNC(N)=S.CC(=O)NC(N)=S
InChIInChI=1S/C4H8N2S.C3H6N2OS/c1-2-3-6-4(5)7;1-2(6)5-3(4)7/h2H,1,3H2,(H3,5,6,7);1H3,(H3,4,5,6,7)
InChIKeyPDBNQCYGYFXGKS-UHFFFAOYSA-N
XLogP-0.63
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-carbamothioylacetamide;prop-2-enylthiourea?
The IUPAC name of N-carbamothioylacetamide;prop-2-enylthiourea (CID 174513700) is N-carbamothioylacetamide;prop-2-enylthiourea.
What is the SMILES notation for N-carbamothioylacetamide;prop-2-enylthiourea?
The canonical SMILES for N-carbamothioylacetamide;prop-2-enylthiourea is C=CCNC(N)=S.CC(=O)NC(N)=S.
What is the InChIKey of N-carbamothioylacetamide;prop-2-enylthiourea?
The InChIKey is PDBNQCYGYFXGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S.C3H6N2OS/c1-2-3-6-4(5)7;1-2(6)5-3(4)7/h2H,1,3H2,(H3,5,6,7);1H3,(H3,4,5,6,7).
What are the key properties of N-carbamothioylacetamide;prop-2-enylthiourea?
N-carbamothioylacetamide;prop-2-enylthiourea has a molecular weight of 234.35 g/mol, XLogP of -0.63, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamothioylacetamide;prop-2-enylthiourea is sourced from PubChem (CID 174513700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).