1-carbamothioyl-3-cyclohexylthiourea

C8H15N3S2 — CID 3324275

IUPAC1-carbamothioyl-3-cyclohexylthiourea
SMILESNC(=S)NC(=S)NC1CCCCC1
InChIInChI=1S/C8H15N3S2/c9-7(12)11-8(13)10-6-4-2-1-3-5-6/h6H,1-5H2,(H4,9,10,11,12,13)
InChIKeyPLEKINUWCAPBIS-UHFFFAOYSA-N
MW217.36 g/mol
LogP1.03
Rot. Bonds1

About 1-carbamothioyl-3-cyclohexylthiourea

1-carbamothioyl-3-cyclohexylthiourea (PubChem CID 3324275) has the molecular formula C8H15N3S2 and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-carbamothioyl-3-cyclohexylthiourea.

Molecular Properties

Compound Name1-carbamothioyl-3-cyclohexylthiourea
PubChem CID3324275
Molecular FormulaC8H15N3S2
Molecular Weight217.36 g/mol
Exact Mass217.07
IUPAC Name1-carbamothioyl-3-cyclohexylthiourea
SMILESNC(=S)NC(=S)NC1CCCCC1
InChIInChI=1S/C8H15N3S2/c9-7(12)11-8(13)10-6-4-2-1-3-5-6/h6H,1-5H2,(H4,9,10,11,12,13)
InChIKeyPLEKINUWCAPBIS-UHFFFAOYSA-N
XLogP1.03
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 51.03
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-cyclohexylthiourea?
The IUPAC name of 1-carbamothioyl-3-cyclohexylthiourea (CID 3324275) is 1-carbamothioyl-3-cyclohexylthiourea.
What is the SMILES notation for 1-carbamothioyl-3-cyclohexylthiourea?
The canonical SMILES for 1-carbamothioyl-3-cyclohexylthiourea is NC(=S)NC(=S)NC1CCCCC1.
What is the InChIKey of 1-carbamothioyl-3-cyclohexylthiourea?
The InChIKey is PLEKINUWCAPBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S2/c9-7(12)11-8(13)10-6-4-2-1-3-5-6/h6H,1-5H2,(H4,9,10,11,12,13).
What are the key properties of 1-carbamothioyl-3-cyclohexylthiourea?
1-carbamothioyl-3-cyclohexylthiourea has a molecular weight of 217.36 g/mol, XLogP of 1.03, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-3-cyclohexylthiourea is sourced from PubChem (CID 3324275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).