1-amino-1-pentylthiourea

C6H15N3S — CID 20849971

IUPAC1-amino-1-pentylthiourea
SMILESCCCCCN(N)C(N)=S
InChIInChI=1S/C6H15N3S/c1-2-3-4-5-9(8)6(7)10/h2-5,8H2,1H3,(H2,7,10)
InChIKeyWSYZXELZWLGGRO-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.60
Rot. Bonds4

About 1-amino-1-pentylthiourea

1-amino-1-pentylthiourea (PubChem CID 20849971) has the molecular formula C6H15N3S and a molecular weight of 161.27 g/mol. Its IUPAC name is 1-amino-1-pentylthiourea.

Molecular Properties

Compound Name1-amino-1-pentylthiourea
PubChem CID20849971
Molecular FormulaC6H15N3S
Molecular Weight161.27 g/mol
Exact Mass161.10
IUPAC Name1-amino-1-pentylthiourea
SMILESCCCCCN(N)C(N)=S
InChIInChI=1S/C6H15N3S/c1-2-3-4-5-9(8)6(7)10/h2-5,8H2,1H3,(H2,7,10)
InChIKeyWSYZXELZWLGGRO-UHFFFAOYSA-N
XLogP0.60
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-pentylhydrazinecarbothioamide
CID 2513311
1-Amino-1-cyclopentylthiourea
CID 20849965
1-Amino-1-(3-methylbutyl)thiourea
CID 20849967
1-Pentyl-1H-tetrazole-5-thiol
CID 21315136
1-Amino-1-cyclohexylthiourea
CID 22299106
1-Amino-1-butylthiourea
CID 22301220
1-Amino-1-propylthiourea
CID 22301223
1-(2-Methylpropyl)hydrazine-1-carbothioamide
CID 55290675
1-Azido-1-pentylthiourea
CID 87690632
1-(Carbamothioylamino)-1-propylthiourea
CID 87990565
1-Hydrazinyl-1-pentylthiourea
CID 88828825
1-(Dimethylamino)-1-propylthiourea
CID 129715618

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-pentylthiourea?
The IUPAC name of 1-amino-1-pentylthiourea (CID 20849971) is 1-amino-1-pentylthiourea.
What is the SMILES notation for 1-amino-1-pentylthiourea?
The canonical SMILES for 1-amino-1-pentylthiourea is CCCCCN(N)C(N)=S.
What is the InChIKey of 1-amino-1-pentylthiourea?
The InChIKey is WSYZXELZWLGGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3S/c1-2-3-4-5-9(8)6(7)10/h2-5,8H2,1H3,(H2,7,10).
What are the key properties of 1-amino-1-pentylthiourea?
1-amino-1-pentylthiourea has a molecular weight of 161.27 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-pentylthiourea is sourced from PubChem (CID 20849971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).