4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholin-4-ium

C9H12Cl2NS2+ — CID 6929577

IUPAC4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholin-4-ium
SMILESClc1cc(C[NH+]2CCSCC2)c(Cl)s1
InChIInChI=1S/C9H11Cl2NS2/c10-8-5-7(9(11)14-8)6-12-1-3-13-4-2-12/h5H,1-4,6H2/p+1
InChIKeyFEELUCMOTWATJL-UHFFFAOYSA-O
MW269.24 g/mol
LogP2.19
Rot. Bonds2

About 4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholin-4-ium

4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholin-4-ium (PubChem CID 6929577) has the molecular formula C9H12Cl2NS2+ and a molecular weight of 269.24 g/mol. Its IUPAC name is 4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholin-4-ium.

Molecular Properties

Compound Name4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholin-4-ium
PubChem CID6929577
Molecular FormulaC9H12Cl2NS2+
Molecular Weight269.24 g/mol
Exact Mass267.98
IUPAC Name4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholin-4-ium
SMILESClc1cc(C[NH+]2CCSCC2)c(Cl)s1
InChIInChI=1S/C9H11Cl2NS2/c10-8-5-7(9(11)14-8)6-12-1-3-13-4-2-12/h5H,1-4,6H2/p+1
InChIKeyFEELUCMOTWATJL-UHFFFAOYSA-O
XLogP2.19
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dichlorothiophen-3-yl)methyl]hydroxylamine
CID 131048910
(2,5-dichlorothiophen-3-yl)methanamine;hydrochloride
CID 71757986
N-[(2,5-dichlorothiophen-3-yl)methyl]cyclohexanamine
CID 107961487
4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)benzaldehyde
CID 4739933
(2,5-dichlorothiophen-3-yl)methylhydrazine;hydrochloride
CID 154577383
4-[(2,4-dimethoxy-3-methylphenyl)methyl]thiomorpholin-4-ium
CID 6937356
1-(2,5-dichlorothiophen-3-yl)-2-(thian-4-yl)ethanone
CID 107962795
5-(2,5-dichlorothiophen-3-yl)pentan-1-amine
CID 65305801
2,5-dichlorothiophen-3-ol
CID 71437780
1-[(5-chlorothiophen-2-yl)methyl]-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine-1,4-diium
CID 9261828
N-[(2,5-dichlorothiophen-3-yl)methyl]-2-hydroxyacetamide
CID 130682625
1-[(2,5-dichlorothiophen-3-yl)methyl]azetidine-3-carboxylic acid
CID 122046725

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholin-4-ium?
The IUPAC name of 4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholin-4-ium (CID 6929577) is 4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholin-4-ium.
What is the SMILES notation for 4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholin-4-ium?
The canonical SMILES for 4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholin-4-ium is Clc1cc(C[NH+]2CCSCC2)c(Cl)s1.
What is the InChIKey of 4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholin-4-ium?
The InChIKey is FEELUCMOTWATJL-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H11Cl2NS2/c10-8-5-7(9(11)14-8)6-12-1-3-13-4-2-12/h5H,1-4,6H2/p+1.
What are the key properties of 4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholin-4-ium?
4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholin-4-ium has a molecular weight of 269.24 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichlorothiophen-3-yl)methyl]thiomorpholin-4-ium is sourced from PubChem (CID 6929577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).