1-carbamothioyl-3-ethylthiourea

C4H9N3S2 — CID 3032494

IUPAC1-carbamothioyl-3-ethylthiourea
SMILESCCNC(=S)NC(N)=S
InChIInChI=1S/C4H9N3S2/c1-2-6-4(9)7-3(5)8/h2H2,1H3,(H4,5,6,7,8,9)
InChIKeyLWSAZBLMPGMYOG-UHFFFAOYSA-N
MW163.27 g/mol
LogP-0.29
Rot. Bonds1

About 1-carbamothioyl-3-ethylthiourea

1-carbamothioyl-3-ethylthiourea (PubChem CID 3032494) has the molecular formula C4H9N3S2 and a molecular weight of 163.27 g/mol. Its IUPAC name is 1-carbamothioyl-3-ethylthiourea.

Molecular Properties

Compound Name1-carbamothioyl-3-ethylthiourea
PubChem CID3032494
Molecular FormulaC4H9N3S2
Molecular Weight163.27 g/mol
Exact Mass163.02
IUPAC Name1-carbamothioyl-3-ethylthiourea
SMILESCCNC(=S)NC(N)=S
InChIInChI=1S/C4H9N3S2/c1-2-6-4(9)7-3(5)8/h2H2,1H3,(H4,5,6,7,8,9)
InChIKeyLWSAZBLMPGMYOG-UHFFFAOYSA-N
XLogP-0.29
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.27
LogP ≤ 5-0.29
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 1-carbamothioyl-3-ethylthiourea?
The IUPAC name of 1-carbamothioyl-3-ethylthiourea (CID 3032494) is 1-carbamothioyl-3-ethylthiourea.
What is the SMILES notation for 1-carbamothioyl-3-ethylthiourea?
The canonical SMILES for 1-carbamothioyl-3-ethylthiourea is CCNC(=S)NC(N)=S.
What is the InChIKey of 1-carbamothioyl-3-ethylthiourea?
The InChIKey is LWSAZBLMPGMYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3S2/c1-2-6-4(9)7-3(5)8/h2H2,1H3,(H4,5,6,7,8,9).
What are the key properties of 1-carbamothioyl-3-ethylthiourea?
1-carbamothioyl-3-ethylthiourea has a molecular weight of 163.27 g/mol, XLogP of -0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-3-ethylthiourea is sourced from PubChem (CID 3032494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).