1-hydrazinyl-1-pentylthiourea

C6H16N4S — CID 88828825

IUPAC1-hydrazinyl-1-pentylthiourea
SMILESCCCCCN(NN)C(N)=S
InChIInChI=1S/C6H16N4S/c1-2-3-4-5-10(9-8)6(7)11/h9H,2-5,8H2,1H3,(H2,7,11)
InChIKeyLVDCEEMFIJIKHR-UHFFFAOYSA-N
MW176.29 g/mol
LogP0.10
Rot. Bonds5

About 1-hydrazinyl-1-pentylthiourea

1-hydrazinyl-1-pentylthiourea (PubChem CID 88828825) has the molecular formula C6H16N4S and a molecular weight of 176.29 g/mol. Its IUPAC name is 1-hydrazinyl-1-pentylthiourea.

Molecular Properties

Compound Name1-hydrazinyl-1-pentylthiourea
PubChem CID88828825
Molecular FormulaC6H16N4S
Molecular Weight176.29 g/mol
Exact Mass176.11
IUPAC Name1-hydrazinyl-1-pentylthiourea
SMILESCCCCCN(NN)C(N)=S
InChIInChI=1S/C6H16N4S/c1-2-3-4-5-10(9-8)6(7)11/h9H,2-5,8H2,1H3,(H2,7,11)
InChIKeyLVDCEEMFIJIKHR-UHFFFAOYSA-N
XLogP0.10
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.29
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

1-Amino-1-pentylthiourea
CID 20849971
1-Amino-1-butylthiourea
CID 22301220
1-Amino-1-propylthiourea
CID 22301223
1-Azido-1-pentylthiourea
CID 87690632
3-Amino-1-butyl-1-(methylamino)thiourea
CID 88338613
1-Amino-1-[3-(dimethylamino)propyl]thiourea
CID 88499732
1-Pentyl-3-(pentylamino)thiourea
CID 118437495
1-Amino-1-pentan-2-ylthiourea
CID 174854687
Amino-butyl-carbamothioyl-methylazanium
CID 20849954

Frequently Asked Questions

What is the IUPAC name of 1-hydrazinyl-1-pentylthiourea?
The IUPAC name of 1-hydrazinyl-1-pentylthiourea (CID 88828825) is 1-hydrazinyl-1-pentylthiourea.
What is the SMILES notation for 1-hydrazinyl-1-pentylthiourea?
The canonical SMILES for 1-hydrazinyl-1-pentylthiourea is CCCCCN(NN)C(N)=S.
What is the InChIKey of 1-hydrazinyl-1-pentylthiourea?
The InChIKey is LVDCEEMFIJIKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4S/c1-2-3-4-5-10(9-8)6(7)11/h9H,2-5,8H2,1H3,(H2,7,11).
What are the key properties of 1-hydrazinyl-1-pentylthiourea?
1-hydrazinyl-1-pentylthiourea has a molecular weight of 176.29 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydrazinyl-1-pentylthiourea is sourced from PubChem (CID 88828825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).