1-cyclopropyl-3-(ethylcarbamothioylamino)thiourea

C7H14N4S2 — CID 7941898

IUPAC1-cyclopropyl-3-(ethylcarbamothioylamino)thiourea
SMILESCCNC(=S)NNC(=S)NC1CC1
InChIInChI=1S/C7H14N4S2/c1-2-8-6(12)10-11-7(13)9-5-3-4-5/h5H,2-4H2,1H3,(H2,8,10,12)(H2,9,11,13)
InChIKeyIOFMMLSNDXRELW-UHFFFAOYSA-N
MW218.35 g/mol
LogP0.01
Rot. Bonds2

About 1-cyclopropyl-3-(ethylcarbamothioylamino)thiourea

1-cyclopropyl-3-(ethylcarbamothioylamino)thiourea (PubChem CID 7941898) has the molecular formula C7H14N4S2 and a molecular weight of 218.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-(ethylcarbamothioylamino)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(ethylcarbamothioylamino)thiourea
PubChem CID7941898
Molecular FormulaC7H14N4S2
Molecular Weight218.35 g/mol
Exact Mass218.07
IUPAC Name1-cyclopropyl-3-(ethylcarbamothioylamino)thiourea
SMILESCCNC(=S)NNC(=S)NC1CC1
InChIInChI=1S/C7H14N4S2/c1-2-8-6(12)10-11-7(13)9-5-3-4-5/h5H,2-4H2,1H3,(H2,8,10,12)(H2,9,11,13)
InChIKeyIOFMMLSNDXRELW-UHFFFAOYSA-N
XLogP0.01
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.35
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(ethylcarbamothioylamino)thiourea?
The IUPAC name of 1-cyclopropyl-3-(ethylcarbamothioylamino)thiourea (CID 7941898) is 1-cyclopropyl-3-(ethylcarbamothioylamino)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(ethylcarbamothioylamino)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(ethylcarbamothioylamino)thiourea is CCNC(=S)NNC(=S)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(ethylcarbamothioylamino)thiourea?
The InChIKey is IOFMMLSNDXRELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S2/c1-2-8-6(12)10-11-7(13)9-5-3-4-5/h5H,2-4H2,1H3,(H2,8,10,12)(H2,9,11,13).
What are the key properties of 1-cyclopropyl-3-(ethylcarbamothioylamino)thiourea?
1-cyclopropyl-3-(ethylcarbamothioylamino)thiourea has a molecular weight of 218.35 g/mol, XLogP of 0.01, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(ethylcarbamothioylamino)thiourea is sourced from PubChem (CID 7941898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).