4-amino-6-pentylpyran-2-thione

C10H15NOS — CID 87438596

IUPAC4-amino-6-pentylpyran-2-thione
SMILESCCCCCc1cc(N)cc(=S)o1
InChIInChI=1S/C10H15NOS/c1-2-3-4-5-9-6-8(11)7-10(13)12-9/h6-7H,2-5,11H2,1H3
InChIKeyZACMVIVRLHWBKG-UHFFFAOYSA-N
MW197.30 g/mol
LogP3.32
Rot. Bonds4

About 4-amino-6-pentylpyran-2-thione

4-amino-6-pentylpyran-2-thione (PubChem CID 87438596) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 4-amino-6-pentylpyran-2-thione.

Molecular Properties

Compound Name4-amino-6-pentylpyran-2-thione
PubChem CID87438596
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name4-amino-6-pentylpyran-2-thione
SMILESCCCCCc1cc(N)cc(=S)o1
InChIInChI=1S/C10H15NOS/c1-2-3-4-5-9-6-8(11)7-10(13)12-9/h6-7H,2-5,11H2,1H3
InChIKeyZACMVIVRLHWBKG-UHFFFAOYSA-N
XLogP3.32
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-pentylpyran-4-one
CID 87438553
5-decylbenzene-1,3-diamine
CID 134222532
2,3,5-triheptylfuran
CID 165157097
2-decyl-1-benzofuran
CID 15365265
2-heptylchromene-4-thione
CID 154713564
7,16-dipentyl-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
CID 118651498
3-methyl-5-pentyl-2-phenylfuran
CID 10846976
4-hydroxy-6-pentylpyran-2-one
CID 54686804
3-pentylaniline
CID 19911390
2,5-dipentyl-1,3-oxazole
CID 67264472
3-docosylaniline
CID 139654071
2-undecylnaphthalene-1,4-diamine
CID 151031394

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-pentylpyran-2-thione?
The IUPAC name of 4-amino-6-pentylpyran-2-thione (CID 87438596) is 4-amino-6-pentylpyran-2-thione.
What is the SMILES notation for 4-amino-6-pentylpyran-2-thione?
The canonical SMILES for 4-amino-6-pentylpyran-2-thione is CCCCCc1cc(N)cc(=S)o1.
What is the InChIKey of 4-amino-6-pentylpyran-2-thione?
The InChIKey is ZACMVIVRLHWBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-2-3-4-5-9-6-8(11)7-10(13)12-9/h6-7H,2-5,11H2,1H3.
What are the key properties of 4-amino-6-pentylpyran-2-thione?
4-amino-6-pentylpyran-2-thione has a molecular weight of 197.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-pentylpyran-2-thione is sourced from PubChem (CID 87438596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).