[7-(dimethylamino)-9H-fluoren-2-yl]thiourea

C16H17N3S — CID 24797461

IUPAC[7-(dimethylamino)-9H-fluoren-2-yl]thiourea
SMILESCN(C)c1ccc2c(c1)Cc1cc(NC(N)=S)ccc1-2
InChIInChI=1S/C16H17N3S/c1-19(2)13-4-6-15-11(9-13)7-10-8-12(18-16(17)20)3-5-14(10)15/h3-6,8-9H,7H2,1-2H3,(H3,17,18,20)
InChIKeyMFROUBCRTQOYBJ-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.98
Rot. Bonds2

About [7-(dimethylamino)-9H-fluoren-2-yl]thiourea

[7-(dimethylamino)-9H-fluoren-2-yl]thiourea (PubChem CID 24797461) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is [7-(dimethylamino)-9H-fluoren-2-yl]thiourea.

Molecular Properties

Compound Name[7-(dimethylamino)-9H-fluoren-2-yl]thiourea
PubChem CID24797461
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name[7-(dimethylamino)-9H-fluoren-2-yl]thiourea
SMILESCN(C)c1ccc2c(c1)Cc1cc(NC(N)=S)ccc1-2
InChIInChI=1S/C16H17N3S/c1-19(2)13-4-6-15-11(9-13)7-10-8-12(18-16(17)20)3-5-14(10)15/h3-6,8-9H,7H2,1-2H3,(H3,17,18,20)
InChIKeyMFROUBCRTQOYBJ-UHFFFAOYSA-N
XLogP2.98
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [7-(dimethylamino)-9H-fluoren-2-yl]thiourea?
The IUPAC name of [7-(dimethylamino)-9H-fluoren-2-yl]thiourea (CID 24797461) is [7-(dimethylamino)-9H-fluoren-2-yl]thiourea.
What is the SMILES notation for [7-(dimethylamino)-9H-fluoren-2-yl]thiourea?
The canonical SMILES for [7-(dimethylamino)-9H-fluoren-2-yl]thiourea is CN(C)c1ccc2c(c1)Cc1cc(NC(N)=S)ccc1-2.
What is the InChIKey of [7-(dimethylamino)-9H-fluoren-2-yl]thiourea?
The InChIKey is MFROUBCRTQOYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-19(2)13-4-6-15-11(9-13)7-10-8-12(18-16(17)20)3-5-14(10)15/h3-6,8-9H,7H2,1-2H3,(H3,17,18,20).
What are the key properties of [7-(dimethylamino)-9H-fluoren-2-yl]thiourea?
[7-(dimethylamino)-9H-fluoren-2-yl]thiourea has a molecular weight of 283.40 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(dimethylamino)-9H-fluoren-2-yl]thiourea is sourced from PubChem (CID 24797461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).