magnesium;2-(4-bromophenyl)sulfanyl-N,N-dimethylethanamine;hydride

C10H16BrMgNS — CID 173311405

IUPACmagnesium;2-(4-bromophenyl)sulfanyl-N,N-dimethylethanamine;hydride
SMILESCN(C)CCSc1ccc(Br)cc1.[H-].[H-].[Mg+2]
InChIInChI=1S/C10H14BrNS.Mg.2H/c1-12(2)7-8-13-10-5-3-9(11)4-6-10;;;/h3-6H,7-8H2,1-2H3;;;/q;+2;2*-1
InChIKeyKVFQNDCNTHDHPA-UHFFFAOYSA-N
MW286.52 g/mol
LogP2.95
Rot. Bonds4

About magnesium;2-(4-bromophenyl)sulfanyl-N,N-dimethylethanamine;hydride

magnesium;2-(4-bromophenyl)sulfanyl-N,N-dimethylethanamine;hydride (PubChem CID 173311405) has the molecular formula C10H16BrMgNS and a molecular weight of 286.52 g/mol. Its IUPAC name is magnesium;2-(4-bromophenyl)sulfanyl-N,N-dimethylethanamine;hydride.

Molecular Properties

Compound Namemagnesium;2-(4-bromophenyl)sulfanyl-N,N-dimethylethanamine;hydride
PubChem CID173311405
Molecular FormulaC10H16BrMgNS
Molecular Weight286.52 g/mol
Exact Mass285.00
IUPAC Namemagnesium;2-(4-bromophenyl)sulfanyl-N,N-dimethylethanamine;hydride
SMILESCN(C)CCSc1ccc(Br)cc1.[H-].[H-].[Mg+2]
InChIInChI=1S/C10H14BrNS.Mg.2H/c1-12(2)7-8-13-10-5-3-9(11)4-6-10;;;/h3-6H,7-8H2,1-2H3;;;/q;+2;2*-1
InChIKeyKVFQNDCNTHDHPA-UHFFFAOYSA-N
XLogP2.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.52
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(dimethylamino)ethylsulfanyl]phenol
CID 15222062
1-bromo-4-propylsulfanylbenzene;hydrofluoride
CID 174332462
1-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]propan-1-one
CID 82164528
2-[4-[6-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine;dihydrobromide
CID 11849601
2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N,N-dimethylethanamine
CID 133429859
3-(4-bromophenyl)sulfanylpropan-1-ol
CID 43392834
1-[5-bromo-2-[2-(dimethylamino)ethylsulfanyl]phenyl]ethanol
CID 82973304
2-(4-bromophenyl)sulfanylethyl-ethyl-dimethylazanium iodide
CID 21150026
3-(4-bromophenyl)sulfanylpropanenitrile
CID 14090121
(2S)-1-(4-bromophenyl)sulfanylpropan-2-amine
CID 95457418
1-[5-bromo-2-[2-(dimethylamino)ethylsulfanyl]phenyl]ethanone
CID 82971690
2-(4-bromophenyl)sulfanylethyl acetate
CID 152673252

Frequently Asked Questions

What is the IUPAC name of magnesium;2-(4-bromophenyl)sulfanyl-N,N-dimethylethanamine;hydride?
The IUPAC name of magnesium;2-(4-bromophenyl)sulfanyl-N,N-dimethylethanamine;hydride (CID 173311405) is magnesium;2-(4-bromophenyl)sulfanyl-N,N-dimethylethanamine;hydride.
What is the SMILES notation for magnesium;2-(4-bromophenyl)sulfanyl-N,N-dimethylethanamine;hydride?
The canonical SMILES for magnesium;2-(4-bromophenyl)sulfanyl-N,N-dimethylethanamine;hydride is CN(C)CCSc1ccc(Br)cc1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;2-(4-bromophenyl)sulfanyl-N,N-dimethylethanamine;hydride?
The InChIKey is KVFQNDCNTHDHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS.Mg.2H/c1-12(2)7-8-13-10-5-3-9(11)4-6-10;;;/h3-6H,7-8H2,1-2H3;;;/q;+2;2*-1.
What are the key properties of magnesium;2-(4-bromophenyl)sulfanyl-N,N-dimethylethanamine;hydride?
magnesium;2-(4-bromophenyl)sulfanyl-N,N-dimethylethanamine;hydride has a molecular weight of 286.52 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-(4-bromophenyl)sulfanyl-N,N-dimethylethanamine;hydride is sourced from PubChem (CID 173311405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).