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

C14H11BrN2S — CID 18536940

IUPAC(7-bromo-9H-fluoren-2-yl)thiourea
SMILESNC(=S)Nc1ccc2c(c1)Cc1cc(Br)ccc1-2
InChIInChI=1S/C14H11BrN2S/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,5H2,(H3,16,17,18)
InChIKeyMKCAOYZMBRPODK-UHFFFAOYSA-N
MW319.23 g/mol
LogP3.68
Rot. Bonds1

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

(7-bromo-9H-fluoren-2-yl)thiourea (PubChem CID 18536940) has the molecular formula C14H11BrN2S and a molecular weight of 319.23 g/mol. Its IUPAC name is (7-bromo-9H-fluoren-2-yl)thiourea.

Molecular Properties

Compound Name(7-bromo-9H-fluoren-2-yl)thiourea
PubChem CID18536940
Molecular FormulaC14H11BrN2S
Molecular Weight319.23 g/mol
Exact Mass317.98
IUPAC Name(7-bromo-9H-fluoren-2-yl)thiourea
SMILESNC(=S)Nc1ccc2c(c1)Cc1cc(Br)ccc1-2
InChIInChI=1S/C14H11BrN2S/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,5H2,(H3,16,17,18)
InChIKeyMKCAOYZMBRPODK-UHFFFAOYSA-N
XLogP3.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 53.68
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

2-Amino-7-bromofluorene
CID 23126
(7-Bromo-9-oxo-fluoren-2-yl)thiourea
CID 24797460
3-bromo-9H-fluorene-2,7-diamine
CID 267843
Thiourea, 9H-fluoren-2-yl-
CID 1477129
[7-(dimethylamino)-9H-fluoren-2-yl]thiourea
CID 24797461
7-bromo-N,N-dimethyl-9H-fluoren-2-amine
CID 24858056
1-(7-bromo-9H-fluoren-2-yl)-3-(4-nitrophenyl)thiourea
CID 118727541
(7-amino-9H-fluoren-2-yl)thiourea
CID 24797557
1-(7-Bromo-9H-fluoren-2-yl)-3-methyl-thiourea
CID 24797559
1-(7-Bromo-9H-fluoren-2-yl)-3-ethyl-thiourea
CID 24797648
1-benzyl-3-(7-bromo-9H-fluoren-2-yl)thiourea
CID 24797737
1-(7-Bromo-9H-fluoren-2-yl)-3-phenyl-thiourea
CID 24797815

Frequently Asked Questions

What is the IUPAC name of (7-bromo-9H-fluoren-2-yl)thiourea?
The IUPAC name of (7-bromo-9H-fluoren-2-yl)thiourea (CID 18536940) is (7-bromo-9H-fluoren-2-yl)thiourea.
What is the SMILES notation for (7-bromo-9H-fluoren-2-yl)thiourea?
The canonical SMILES for (7-bromo-9H-fluoren-2-yl)thiourea is NC(=S)Nc1ccc2c(c1)Cc1cc(Br)ccc1-2.
What is the InChIKey of (7-bromo-9H-fluoren-2-yl)thiourea?
The InChIKey is MKCAOYZMBRPODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2S/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,5H2,(H3,16,17,18).
What are the key properties of (7-bromo-9H-fluoren-2-yl)thiourea?
(7-bromo-9H-fluoren-2-yl)thiourea has a molecular weight of 319.23 g/mol, XLogP of 3.68, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-9H-fluoren-2-yl)thiourea is sourced from PubChem (CID 18536940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).