1-(carbamothioylamino)-3-cyclohexylthiourea

C8H16N4S2 — CID 3658875

IUPAC1-(carbamothioylamino)-3-cyclohexylthiourea
SMILESNC(=S)NNC(=S)NC1CCCCC1
InChIInChI=1S/C8H16N4S2/c9-7(13)11-12-8(14)10-6-4-2-1-3-5-6/h6H,1-5H2,(H3,9,11,13)(H2,10,12,14)
InChIKeyNSJQFAIHNFLDIB-UHFFFAOYSA-N
MW232.38 g/mol
LogP0.53
Rot. Bonds1

About 1-(carbamothioylamino)-3-cyclohexylthiourea

1-(carbamothioylamino)-3-cyclohexylthiourea (PubChem CID 3658875) has the molecular formula C8H16N4S2 and a molecular weight of 232.38 g/mol. Its IUPAC name is 1-(carbamothioylamino)-3-cyclohexylthiourea.

Molecular Properties

Compound Name1-(carbamothioylamino)-3-cyclohexylthiourea
PubChem CID3658875
Molecular FormulaC8H16N4S2
Molecular Weight232.38 g/mol
Exact Mass232.08
IUPAC Name1-(carbamothioylamino)-3-cyclohexylthiourea
SMILESNC(=S)NNC(=S)NC1CCCCC1
InChIInChI=1S/C8H16N4S2/c9-7(13)11-12-8(14)10-6-4-2-1-3-5-6/h6H,1-5H2,(H3,9,11,13)(H2,10,12,14)
InChIKeyNSJQFAIHNFLDIB-UHFFFAOYSA-N
XLogP0.53
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.38
LogP ≤ 50.53
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-(carbamothioylamino)-3-cyclohexylthiourea?
The IUPAC name of 1-(carbamothioylamino)-3-cyclohexylthiourea (CID 3658875) is 1-(carbamothioylamino)-3-cyclohexylthiourea.
What is the SMILES notation for 1-(carbamothioylamino)-3-cyclohexylthiourea?
The canonical SMILES for 1-(carbamothioylamino)-3-cyclohexylthiourea is NC(=S)NNC(=S)NC1CCCCC1.
What is the InChIKey of 1-(carbamothioylamino)-3-cyclohexylthiourea?
The InChIKey is NSJQFAIHNFLDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S2/c9-7(13)11-12-8(14)10-6-4-2-1-3-5-6/h6H,1-5H2,(H3,9,11,13)(H2,10,12,14).
What are the key properties of 1-(carbamothioylamino)-3-cyclohexylthiourea?
1-(carbamothioylamino)-3-cyclohexylthiourea has a molecular weight of 232.38 g/mol, XLogP of 0.53, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamothioylamino)-3-cyclohexylthiourea is sourced from PubChem (CID 3658875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).