1-cyclohexyl-3-(ethylcarbamothioylamino)thiourea

C10H20N4S2 — CID 7941887

IUPAC1-cyclohexyl-3-(ethylcarbamothioylamino)thiourea
SMILESCCNC(=S)NNC(=S)NC1CCCCC1
InChIInChI=1S/C10H20N4S2/c1-2-11-9(15)13-14-10(16)12-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H2,11,13,15)(H2,12,14,16)
InChIKeyAXPJVUHATLBLEJ-UHFFFAOYSA-N
MW260.43 g/mol
LogP1.18
Rot. Bonds2

About 1-cyclohexyl-3-(ethylcarbamothioylamino)thiourea

1-cyclohexyl-3-(ethylcarbamothioylamino)thiourea (PubChem CID 7941887) has the molecular formula C10H20N4S2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-(ethylcarbamothioylamino)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(ethylcarbamothioylamino)thiourea
PubChem CID7941887
Molecular FormulaC10H20N4S2
Molecular Weight260.43 g/mol
Exact Mass260.11
IUPAC Name1-cyclohexyl-3-(ethylcarbamothioylamino)thiourea
SMILESCCNC(=S)NNC(=S)NC1CCCCC1
InChIInChI=1S/C10H20N4S2/c1-2-11-9(15)13-14-10(16)12-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H2,11,13,15)(H2,12,14,16)
InChIKeyAXPJVUHATLBLEJ-UHFFFAOYSA-N
XLogP1.18
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 51.18
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-cyclohexyl-3-(ethylcarbamothioylamino)thiourea?
The IUPAC name of 1-cyclohexyl-3-(ethylcarbamothioylamino)thiourea (CID 7941887) is 1-cyclohexyl-3-(ethylcarbamothioylamino)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(ethylcarbamothioylamino)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(ethylcarbamothioylamino)thiourea is CCNC(=S)NNC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(ethylcarbamothioylamino)thiourea?
The InChIKey is AXPJVUHATLBLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S2/c1-2-11-9(15)13-14-10(16)12-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H2,11,13,15)(H2,12,14,16).
What are the key properties of 1-cyclohexyl-3-(ethylcarbamothioylamino)thiourea?
1-cyclohexyl-3-(ethylcarbamothioylamino)thiourea has a molecular weight of 260.43 g/mol, XLogP of 1.18, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(ethylcarbamothioylamino)thiourea is sourced from PubChem (CID 7941887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).