1-amino-1-cyclohexylthiourea

C7H15N3S — CID 22299106

IUPAC1-amino-1-cyclohexylthiourea
SMILESNC(=S)N(N)C1CCCCC1
InChIInChI=1S/C7H15N3S/c8-7(11)10(9)6-4-2-1-3-5-6/h6H,1-5,9H2,(H2,8,11)
InChIKeyJVLNGPUSJZXWOA-UHFFFAOYSA-N
MW173.28 g/mol
LogP0.74
Rot. Bonds1

About 1-amino-1-cyclohexylthiourea

1-amino-1-cyclohexylthiourea (PubChem CID 22299106) has the molecular formula C7H15N3S and a molecular weight of 173.28 g/mol. Its IUPAC name is 1-amino-1-cyclohexylthiourea.

Molecular Properties

Compound Name1-amino-1-cyclohexylthiourea
PubChem CID22299106
Molecular FormulaC7H15N3S
Molecular Weight173.28 g/mol
Exact Mass173.10
IUPAC Name1-amino-1-cyclohexylthiourea
SMILESNC(=S)N(N)C1CCCCC1
InChIInChI=1S/C7H15N3S/c8-7(11)10(9)6-4-2-1-3-5-6/h6H,1-5,9H2,(H2,8,11)
InChIKeyJVLNGPUSJZXWOA-UHFFFAOYSA-N
XLogP0.74
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-Cyclohexylthiosemicarbazide
CID 722813
1-cyclohexyl-1H-1,2,3,4-tetrazole-5-thiol
CID 708462
1-Cyclohexyltetrazolidine-5-thione
CID 18952590
1-Amino-1-cyclopentylthiourea
CID 20849965
1-Amino-1-pentylthiourea
CID 20849971
1-Cyclohexyl-1-(dimethylamino)thiourea
CID 89915328
1-Amino-1-cyclohexyl-3-ethylthiourea
CID 140263144
1-cyclohexyl-2H-tetrazol-4-ium-5-thione
CID 151997357
2-Amino-1-cyclohexyltetrazolidine-5-thione
CID 152385790
1-[Cyclohexyl(methyl)amino]-1-methylthiourea
CID 174786278
1-Amino-1-pentan-2-ylthiourea
CID 174854687
1-Amino-1-cyclohexyl-3-methylthiourea
CID 129931133

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-cyclohexylthiourea?
The IUPAC name of 1-amino-1-cyclohexylthiourea (CID 22299106) is 1-amino-1-cyclohexylthiourea.
What is the SMILES notation for 1-amino-1-cyclohexylthiourea?
The canonical SMILES for 1-amino-1-cyclohexylthiourea is NC(=S)N(N)C1CCCCC1.
What is the InChIKey of 1-amino-1-cyclohexylthiourea?
The InChIKey is JVLNGPUSJZXWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3S/c8-7(11)10(9)6-4-2-1-3-5-6/h6H,1-5,9H2,(H2,8,11).
What are the key properties of 1-amino-1-cyclohexylthiourea?
1-amino-1-cyclohexylthiourea has a molecular weight of 173.28 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-cyclohexylthiourea is sourced from PubChem (CID 22299106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).