9H-fluorene-1-thiol;pentan-1-amine

C18H23NS — CID 175214866

IUPAC9H-fluorene-1-thiol;pentan-1-amine
SMILESCCCCCN.Sc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H10S.C5H13N/c14-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13;1-2-3-4-5-6/h1-7,14H,8H2;2-6H2,1H3
InChIKeyHFQZUXRQQNROFX-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.68
Rot. Bonds3

About 9H-fluorene-1-thiol;pentan-1-amine

9H-fluorene-1-thiol;pentan-1-amine (PubChem CID 175214866) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 9H-fluorene-1-thiol;pentan-1-amine.

Molecular Properties

Compound Name9H-fluorene-1-thiol;pentan-1-amine
PubChem CID175214866
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name9H-fluorene-1-thiol;pentan-1-amine
SMILESCCCCCN.Sc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H10S.C5H13N/c14-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13;1-2-3-4-5-6/h1-7,14H,8H2;2-6H2,1H3
InChIKeyHFQZUXRQQNROFX-UHFFFAOYSA-N
XLogP4.68
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-[9H-fluoren-1-yl(dimethoxy)methyl]dodecan-1-amine
CID 152556680
9H-fluorene;hexane-1,6-diamine
CID 19108206
9H-fluorene;henicosane
CID 174789372
bis(9H-fluorene);pentane
CID 159146463
1-hept-1-en-2-yl-9H-fluorene
CID 90871277
N,N-didecyl-9H-fluoren-1-amine
CID 151349271
N-(9H-fluoren-1-yl)-N-tetradecyl-9H-fluoren-1-amine
CID 150228680
bis(9H-fluorene);methane;pentane
CID 158815702
ethanamine;9H-fluorene
CID 158316259
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-hexyl-9H-fluoren-2-amine
CID 57359668
1-(9H-fluoren-1-yl)hexadecan-1-one
CID 139905434

Frequently Asked Questions

What is the IUPAC name of 9H-fluorene-1-thiol;pentan-1-amine?
The IUPAC name of 9H-fluorene-1-thiol;pentan-1-amine (CID 175214866) is 9H-fluorene-1-thiol;pentan-1-amine.
What is the SMILES notation for 9H-fluorene-1-thiol;pentan-1-amine?
The canonical SMILES for 9H-fluorene-1-thiol;pentan-1-amine is CCCCCN.Sc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 9H-fluorene-1-thiol;pentan-1-amine?
The InChIKey is HFQZUXRQQNROFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10S.C5H13N/c14-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13;1-2-3-4-5-6/h1-7,14H,8H2;2-6H2,1H3.
What are the key properties of 9H-fluorene-1-thiol;pentan-1-amine?
9H-fluorene-1-thiol;pentan-1-amine has a molecular weight of 285.46 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluorene-1-thiol;pentan-1-amine is sourced from PubChem (CID 175214866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).