(7-methyl-9H-fluoren-2-yl)thiourea;bis(pentane)

C25H38N2S — CID 143631346

IUPAC(7-methyl-9H-fluoren-2-yl)thiourea;bis(pentane)
SMILESCCCCC.CCCCC.Cc1ccc2c(c1)Cc1cc(NC(N)=S)ccc1-2
InChIInChI=1S/C15H14N2S.2C5H12/c1-9-2-4-13-10(6-9)7-11-8-12(17-15(16)18)3-5-14(11)13;2*1-3-5-4-2/h2-6,8H,7H2,1H3,(H3,16,17,18);2*3-5H2,1-2H3
InChIKeyATDHEKREWRJWHD-UHFFFAOYSA-N
MW398.66 g/mol
LogP7.61
Rot. Bonds5

About (7-methyl-9H-fluoren-2-yl)thiourea;bis(pentane)

(7-methyl-9H-fluoren-2-yl)thiourea;bis(pentane) (PubChem CID 143631346) has the molecular formula C25H38N2S and a molecular weight of 398.66 g/mol. Its IUPAC name is (7-methyl-9H-fluoren-2-yl)thiourea;bis(pentane).

Molecular Properties

Compound Name(7-methyl-9H-fluoren-2-yl)thiourea;bis(pentane)
PubChem CID143631346
Molecular FormulaC25H38N2S
Molecular Weight398.66 g/mol
Exact Mass398.28
IUPAC Name(7-methyl-9H-fluoren-2-yl)thiourea;bis(pentane)
SMILESCCCCC.CCCCC.Cc1ccc2c(c1)Cc1cc(NC(N)=S)ccc1-2
InChIInChI=1S/C15H14N2S.2C5H12/c1-9-2-4-13-10(6-9)7-11-8-12(17-15(16)18)3-5-14(11)13;2*1-3-5-4-2/h2-6,8H,7H2,1H3,(H3,16,17,18);2*3-5H2,1-2H3
InChIKeyATDHEKREWRJWHD-UHFFFAOYSA-N
XLogP7.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.66
LogP ≤ 57.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(2,7-dimethyl-9H-fluorene);ethane;methane
CID 159270379
1-(7-bromo-9H-fluoren-2-yl)-3-propylthiourea
CID 24797649
2-ethyl-N-[7-(2-ethylbutanoylamino)-9H-fluoren-2-yl]butanamide
CID 9320374
ethyl 2-(9H-fluoren-2-ylamino)-2-oxoacetate
CID 3033193
dichlorozirconium;2,7-dimethyl-9H-fluorene
CID 174320466
N-(9H-fluoren-2-ylcarbamothioyl)acetamide
CID 17099951
3-(7-isothiocyanato-9H-fluoren-2-yl)-1,1-dimethylthiourea
CID 58121386
(1,1-dimethyl-3-oxo-2,4-dihydroisoquinolin-6-yl)thiourea
CID 169358514
2-amino-N-(9H-fluoren-2-yl)pentanamide
CID 43650050
1-amino-2-ethyl-3-(9H-fluoren-2-yl)guanidine
CID 116511868
2-bromo-7-methyl-9H-fluorene
CID 21041918
2,9-dimethyl-11,12-dihydroindeno[2,1-a]fluorene;2,8-dimethyl-6,12-dihydroindeno[1,2-b]fluorene
CID 159175556

Frequently Asked Questions

What is the IUPAC name of (7-methyl-9H-fluoren-2-yl)thiourea;bis(pentane)?
The IUPAC name of (7-methyl-9H-fluoren-2-yl)thiourea;bis(pentane) (CID 143631346) is (7-methyl-9H-fluoren-2-yl)thiourea;bis(pentane).
What is the SMILES notation for (7-methyl-9H-fluoren-2-yl)thiourea;bis(pentane)?
The canonical SMILES for (7-methyl-9H-fluoren-2-yl)thiourea;bis(pentane) is CCCCC.CCCCC.Cc1ccc2c(c1)Cc1cc(NC(N)=S)ccc1-2.
What is the InChIKey of (7-methyl-9H-fluoren-2-yl)thiourea;bis(pentane)?
The InChIKey is ATDHEKREWRJWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S.2C5H12/c1-9-2-4-13-10(6-9)7-11-8-12(17-15(16)18)3-5-14(11)13;2*1-3-5-4-2/h2-6,8H,7H2,1H3,(H3,16,17,18);2*3-5H2,1-2H3.
What are the key properties of (7-methyl-9H-fluoren-2-yl)thiourea;bis(pentane)?
(7-methyl-9H-fluoren-2-yl)thiourea;bis(pentane) has a molecular weight of 398.66 g/mol, XLogP of 7.61, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-9H-fluoren-2-yl)thiourea;bis(pentane) is sourced from PubChem (CID 143631346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).