2-bromothiophene;N-dithiophen-2-ylphosphanyl-N-methylmethanamine;methane

C16H23BrNPS3 — CID 158437013

IUPAC2-bromothiophene;N-dithiophen-2-ylphosphanyl-N-methylmethanamine;methane
SMILESBrc1cccs1.C.C.CN(C)P(c1cccs1)c1cccs1
InChIInChI=1S/C10H12NPS2.C4H3BrS.2CH4/c1-11(2)12(9-5-3-7-13-9)10-6-4-8-14-10;5-4-2-1-3-6-4;;/h3-8H,1-2H3;1-3H;2*1H4
InChIKeyHCIVDCOGINCYRG-UHFFFAOYSA-N
MW436.45 g/mol
LogP6.50
Rot. Bonds3

About 2-bromothiophene;N-dithiophen-2-ylphosphanyl-N-methylmethanamine;methane

2-bromothiophene;N-dithiophen-2-ylphosphanyl-N-methylmethanamine;methane (PubChem CID 158437013) has the molecular formula C16H23BrNPS3 and a molecular weight of 436.45 g/mol. Its IUPAC name is 2-bromothiophene;N-dithiophen-2-ylphosphanyl-N-methylmethanamine;methane.

Molecular Properties

Compound Name2-bromothiophene;N-dithiophen-2-ylphosphanyl-N-methylmethanamine;methane
PubChem CID158437013
Molecular FormulaC16H23BrNPS3
Molecular Weight436.45 g/mol
Exact Mass434.99
IUPAC Name2-bromothiophene;N-dithiophen-2-ylphosphanyl-N-methylmethanamine;methane
SMILESBrc1cccs1.C.C.CN(C)P(c1cccs1)c1cccs1
InChIInChI=1S/C10H12NPS2.C4H3BrS.2CH4/c1-11(2)12(9-5-3-7-13-9)10-6-4-8-14-10;5-4-2-1-3-6-4;;/h3-8H,1-2H3;1-3H;2*1H4
InChIKeyHCIVDCOGINCYRG-UHFFFAOYSA-N
XLogP6.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.45
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 91328293
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CID 175516450
dibromo(thiophen-2-yl)phosphane
CID 14906519
2-bromothiophene;sulfuryl diazide
CID 158472383
4-dithiophen-2-ylphosphanylaniline
CID 163208691
magnesium;2-bromothiophene;2,5-dibromothiophene;2,5-dithiophen-2-ylthiophene;2H-thiophen-2-ide;bromide
CID 159825502
2-bromothiophene;3,6-ditert-butyl-9H-carbazole;3,6-ditert-butyl-9-thiophen-2-ylcarbazole
CID 159176687
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 78989434
thiophen-2-ol
CID 10909502
2-methylthiophene
CID 143626612
N',N'-dimethyl-1-thiophen-2-ylmethanediamine
CID 116909030

Frequently Asked Questions

What is the IUPAC name of 2-bromothiophene;N-dithiophen-2-ylphosphanyl-N-methylmethanamine;methane?
The IUPAC name of 2-bromothiophene;N-dithiophen-2-ylphosphanyl-N-methylmethanamine;methane (CID 158437013) is 2-bromothiophene;N-dithiophen-2-ylphosphanyl-N-methylmethanamine;methane.
What is the SMILES notation for 2-bromothiophene;N-dithiophen-2-ylphosphanyl-N-methylmethanamine;methane?
The canonical SMILES for 2-bromothiophene;N-dithiophen-2-ylphosphanyl-N-methylmethanamine;methane is Brc1cccs1.C.C.CN(C)P(c1cccs1)c1cccs1.
What is the InChIKey of 2-bromothiophene;N-dithiophen-2-ylphosphanyl-N-methylmethanamine;methane?
The InChIKey is HCIVDCOGINCYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NPS2.C4H3BrS.2CH4/c1-11(2)12(9-5-3-7-13-9)10-6-4-8-14-10;5-4-2-1-3-6-4;;/h3-8H,1-2H3;1-3H;2*1H4.
What are the key properties of 2-bromothiophene;N-dithiophen-2-ylphosphanyl-N-methylmethanamine;methane?
2-bromothiophene;N-dithiophen-2-ylphosphanyl-N-methylmethanamine;methane has a molecular weight of 436.45 g/mol, XLogP of 6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromothiophene;N-dithiophen-2-ylphosphanyl-N-methylmethanamine;methane is sourced from PubChem (CID 158437013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).