(7-amino-9H-fluoren-2-yl)thiourea

C14H13N3S — CID 24797557

IUPAC(7-amino-9H-fluoren-2-yl)thiourea
SMILESNC(=S)Nc1ccc2c(c1)Cc1cc(N)ccc1-2
InChIInChI=1S/C14H13N3S/c15-10-1-3-12-8(6-10)5-9-7-11(17-14(16)18)2-4-13(9)12/h1-4,6-7H,5,15H2,(H3,16,17,18)
InChIKeyKTKKNNOTGRQOML-UHFFFAOYSA-N
MW255.35 g/mol
LogP2.50
Rot. Bonds1

About (7-amino-9H-fluoren-2-yl)thiourea

(7-amino-9H-fluoren-2-yl)thiourea (PubChem CID 24797557) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is (7-amino-9H-fluoren-2-yl)thiourea.

Molecular Properties

Compound Name(7-amino-9H-fluoren-2-yl)thiourea
PubChem CID24797557
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name(7-amino-9H-fluoren-2-yl)thiourea
SMILESNC(=S)Nc1ccc2c(c1)Cc1cc(N)ccc1-2
InChIInChI=1S/C14H13N3S/c15-10-1-3-12-8(6-10)5-9-7-11(17-14(16)18)2-4-13(9)12/h1-4,6-7H,5,15H2,(H3,16,17,18)
InChIKeyKTKKNNOTGRQOML-UHFFFAOYSA-N
XLogP2.50
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Alpha-Naphthylthiourea
CID 736366
2,7-Diaminofluorene
CID 10679
Mls002608127
CID 4201092
1-(2-Naphthyl)-2-thiourea
CID 2829258
N,N'-Bis(4-methylphenyl)thiourea
CID 688021
(3,4-Dimethylphenyl)thiourea
CID 854809
(4-Ethylphenyl)thiourea
CID 2758896
Carbanilide, 4-methylthio-
CID 853904
N-[4'-(trifluoromethyl)-4-biphenylyl]thiourea
CID 11652296
1-(2,3-dihydro-1H-inden-5-yl)-3-phenylurea
CID 4530884
N-(2,3-Dihydro-1H-inden-5-YL)-N'-(4-fluorophenyl)urea
CID 24818652
N-(2,3-Dihydro-1H-inden-5-YL)-N'-(4-methylphenyl)urea
CID 24819566

Frequently Asked Questions

What is the IUPAC name of (7-amino-9H-fluoren-2-yl)thiourea?
The IUPAC name of (7-amino-9H-fluoren-2-yl)thiourea (CID 24797557) is (7-amino-9H-fluoren-2-yl)thiourea.
What is the SMILES notation for (7-amino-9H-fluoren-2-yl)thiourea?
The canonical SMILES for (7-amino-9H-fluoren-2-yl)thiourea is NC(=S)Nc1ccc2c(c1)Cc1cc(N)ccc1-2.
What is the InChIKey of (7-amino-9H-fluoren-2-yl)thiourea?
The InChIKey is KTKKNNOTGRQOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c15-10-1-3-12-8(6-10)5-9-7-11(17-14(16)18)2-4-13(9)12/h1-4,6-7H,5,15H2,(H3,16,17,18).
What are the key properties of (7-amino-9H-fluoren-2-yl)thiourea?
(7-amino-9H-fluoren-2-yl)thiourea has a molecular weight of 255.35 g/mol, XLogP of 2.50, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-9H-fluoren-2-yl)thiourea is sourced from PubChem (CID 24797557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).