bromozinc(1+);4-(phenylmethyl)thiomorpholine

C11H14BrNSZn — CID 146001717

IUPACbromozinc(1+);4-(phenylmethyl)thiomorpholine
SMILES[Zn+]Br.[c-]1ccc(CN2CCSCC2)cc1
InChIInChI=1S/C11H14NS.BrH.Zn/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;;/h2-5H,6-10H2;1H;/q-1;;+2/p-1
InChIKeyUPFSDLMXBWOXET-UHFFFAOYSA-M
MW337.60 g/mol
LogP2.88
Rot. Bonds2

About bromozinc(1+);4-(phenylmethyl)thiomorpholine

bromozinc(1+);4-(phenylmethyl)thiomorpholine (PubChem CID 146001717) has the molecular formula C11H14BrNSZn and a molecular weight of 337.60 g/mol. Its IUPAC name is bromozinc(1+);4-(phenylmethyl)thiomorpholine.

Molecular Properties

Compound Namebromozinc(1+);4-(phenylmethyl)thiomorpholine
PubChem CID146001717
Molecular FormulaC11H14BrNSZn
Molecular Weight337.60 g/mol
Exact Mass334.93
IUPAC Namebromozinc(1+);4-(phenylmethyl)thiomorpholine
SMILES[Zn+]Br.[c-]1ccc(CN2CCSCC2)cc1
InChIInChI=1S/C11H14NS.BrH.Zn/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;;/h2-5H,6-10H2;1H;/q-1;;+2/p-1
InChIKeyUPFSDLMXBWOXET-UHFFFAOYSA-M
XLogP2.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

magnesium;4-(phenylmethyl)thiomorpholine;bromide
CID 91655405
zinc;1-(phenylmethyl)piperidine;iodide
CID 170999956
4-[(3,4-dichlorophenyl)methyl]thiomorpholine
CID 793280
4-[(6-chloro-3-pyridinyl)methyl]-1,4-thiazepane
CID 60773865
2-amino-4-(thiomorpholin-4-ylmethyl)phenol
CID 43375800
4-[(2,4-dichlorophenyl)methyl]thiomorpholine
CID 1377068
10-[(3,5-difluorophenyl)methyl]-1,4,7-trithia-10-azacyclododecane
CID 101270130
2,6-dichloro-4-(1,4-thiazepan-4-ylmethyl)aniline
CID 82832971
[3-chloro-4-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 102662746
(2-chlorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24724527
methyl 4-(thiomorpholin-4-ylmethyl)benzoate
CID 10106210
3-chloro-4-(thiomorpholin-4-ylmethyl)benzonitrile
CID 102665276

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);4-(phenylmethyl)thiomorpholine?
The IUPAC name of bromozinc(1+);4-(phenylmethyl)thiomorpholine (CID 146001717) is bromozinc(1+);4-(phenylmethyl)thiomorpholine.
What is the SMILES notation for bromozinc(1+);4-(phenylmethyl)thiomorpholine?
The canonical SMILES for bromozinc(1+);4-(phenylmethyl)thiomorpholine is [Zn+]Br.[c-]1ccc(CN2CCSCC2)cc1.
What is the InChIKey of bromozinc(1+);4-(phenylmethyl)thiomorpholine?
The InChIKey is UPFSDLMXBWOXET-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14NS.BrH.Zn/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;;/h2-5H,6-10H2;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);4-(phenylmethyl)thiomorpholine?
bromozinc(1+);4-(phenylmethyl)thiomorpholine has a molecular weight of 337.60 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);4-(phenylmethyl)thiomorpholine is sourced from PubChem (CID 146001717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).