(1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine

C10H12N2S2 — CID 156789144

IUPAC(1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine
SMILESN[C@@H](c1cccs1)[C@@H](N)c1cccs1
InChIInChI=1S/C10H12N2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9-10H,11-12H2/t9-,10-/m0/s1
InChIKeyQOYHIHWLSZYWFP-UWVGGRQHSA-N
MW224.35 g/mol
LogP2.51
Rot. Bonds3

About (1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine

(1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine (PubChem CID 156789144) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is (1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name(1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine
PubChem CID156789144
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC Name(1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine
SMILESN[C@@H](c1cccs1)[C@@H](N)c1cccs1
InChIInChI=1S/C10H12N2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9-10H,11-12H2/t9-,10-/m0/s1
InChIKeyQOYHIHWLSZYWFP-UWVGGRQHSA-N
XLogP2.51
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(1S)-3,3-difluoro-1-thiophen-2-ylpropan-1-amine;hydrochloride
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(1S)-1-thiophen-2-ylpropane-1,3-diamine
CID 130817446
N',N'-dimethyl-1-thiophen-2-ylmethanediamine
CID 116909030
(S)-phenyl(thiophen-2-yl)methanamine
CID 7129073
4-amino-3-hydroxy-4-thiophen-2-ylbutanoic acid
CID 156789999
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
(4-propan-2-ylcyclohexyl)-thiophen-2-ylmethanamine
CID 65423602
2,2-difluoro-1-thiophen-2-ylpropan-1-amine
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3-amino-3-thiophen-2-ylpropane-1-thiol
CID 116831185

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine?
The IUPAC name of (1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine (CID 156789144) is (1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for (1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine?
The canonical SMILES for (1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine is N[C@@H](c1cccs1)[C@@H](N)c1cccs1.
What is the InChIKey of (1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine?
The InChIKey is QOYHIHWLSZYWFP-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H12N2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9-10H,11-12H2/t9-,10-/m0/s1.
What are the key properties of (1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine?
(1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 156789144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).