(cyclohexylamino)thiourea

C7H15N3S — CID 3343324

IUPAC(cyclohexylamino)thiourea
SMILESNC(=S)NNC1CCCCC1
InChIInChI=1S/C7H15N3S/c8-7(11)10-9-6-4-2-1-3-5-6/h6,9H,1-5H2,(H3,8,10,11)
InChIKeyMRGAVUWHIBNMAA-UHFFFAOYSA-N
MW173.28 g/mol
LogP0.66
Rot. Bonds2

About (cyclohexylamino)thiourea

(cyclohexylamino)thiourea (PubChem CID 3343324) has the molecular formula C7H15N3S and a molecular weight of 173.28 g/mol. Its IUPAC name is (cyclohexylamino)thiourea.

Molecular Properties

Compound Name(cyclohexylamino)thiourea
PubChem CID3343324
Molecular FormulaC7H15N3S
Molecular Weight173.28 g/mol
Exact Mass173.10
IUPAC Name(cyclohexylamino)thiourea
SMILESNC(=S)NNC1CCCCC1
InChIInChI=1S/C7H15N3S/c8-7(11)10-9-6-4-2-1-3-5-6/h6,9H,1-5H2,(H3,8,10,11)
InChIKeyMRGAVUWHIBNMAA-UHFFFAOYSA-N
XLogP0.66
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.66
H-Bond Donors ≤ 53
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 (cyclohexylamino)thiourea?
The IUPAC name of (cyclohexylamino)thiourea (CID 3343324) is (cyclohexylamino)thiourea.
What is the SMILES notation for (cyclohexylamino)thiourea?
The canonical SMILES for (cyclohexylamino)thiourea is NC(=S)NNC1CCCCC1.
What is the InChIKey of (cyclohexylamino)thiourea?
The InChIKey is MRGAVUWHIBNMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3S/c8-7(11)10-9-6-4-2-1-3-5-6/h6,9H,1-5H2,(H3,8,10,11).
What are the key properties of (cyclohexylamino)thiourea?
(cyclohexylamino)thiourea has a molecular weight of 173.28 g/mol, XLogP of 0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohexylamino)thiourea is sourced from PubChem (CID 3343324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).