[[(3R)-3-methylcyclohexylidene]amino]thiourea

C8H15N3S — CID 124838605

IUPAC[[(3R)-3-methylcyclohexylidene]amino]thiourea
SMILESC[C@@H]1CCCC(=NNC(N)=S)C1
InChIInChI=1S/C8H15N3S/c1-6-3-2-4-7(5-6)10-11-8(9)12/h6H,2-5H2,1H3,(H3,9,11,12)/t6-/m1/s1
InChIKeyHYTSSRJLTXZVAJ-ZCFIWIBFSA-N
MW185.30 g/mol
LogP1.39
Rot. Bonds1

About [[(3R)-3-methylcyclohexylidene]amino]thiourea

[[(3R)-3-methylcyclohexylidene]amino]thiourea (PubChem CID 124838605) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is [[(3R)-3-methylcyclohexylidene]amino]thiourea.

Molecular Properties

Compound Name[[(3R)-3-methylcyclohexylidene]amino]thiourea
PubChem CID124838605
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name[[(3R)-3-methylcyclohexylidene]amino]thiourea
SMILESC[C@@H]1CCCC(=NNC(N)=S)C1
InChIInChI=1S/C8H15N3S/c1-6-3-2-4-7(5-6)10-11-8(9)12/h6H,2-5H2,1H3,(H3,9,11,12)/t6-/m1/s1
InChIKeyHYTSSRJLTXZVAJ-ZCFIWIBFSA-N
XLogP1.39
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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 [[(3R)-3-methylcyclohexylidene]amino]thiourea?
The IUPAC name of [[(3R)-3-methylcyclohexylidene]amino]thiourea (CID 124838605) is [[(3R)-3-methylcyclohexylidene]amino]thiourea.
What is the SMILES notation for [[(3R)-3-methylcyclohexylidene]amino]thiourea?
The canonical SMILES for [[(3R)-3-methylcyclohexylidene]amino]thiourea is C[C@@H]1CCCC(=NNC(N)=S)C1.
What is the InChIKey of [[(3R)-3-methylcyclohexylidene]amino]thiourea?
The InChIKey is HYTSSRJLTXZVAJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15N3S/c1-6-3-2-4-7(5-6)10-11-8(9)12/h6H,2-5H2,1H3,(H3,9,11,12)/t6-/m1/s1.
What are the key properties of [[(3R)-3-methylcyclohexylidene]amino]thiourea?
[[(3R)-3-methylcyclohexylidene]amino]thiourea has a molecular weight of 185.30 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(3R)-3-methylcyclohexylidene]amino]thiourea is sourced from PubChem (CID 124838605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).