(1,3-Dithiolan-2-yl)methanamine

HCID 12372267
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Basic information

Standard SMILES
NCC1SCCS1
InChIKey
HXKZAVMODXTMAI-UHFFFAOYSA-N
Molecular formula
C4H9NS2
Average molar mass
135.3 g/mol
Monoisotopic mass
135.01764164

Names & identifiers

Preferred name
(1,3-Dithiolan-2-yl)methanamine
IUPAC
1,3-dithiolan-2-ylmethanamine

Names & synonyms

(1,3-dithiolan-2-yl)methanamine104910-53-41,3-dithiolan-2-methylamine1,3-dithiolan-2-ylmethylamineSCHEMBL2899607SCHEMBL2899608HXKZAVMODXTMAI-UHFFFAOYSA-Nc-[1,3]dithiolan-2-yl-methylamineAKOS006339251EN300-305639

Database identifiers

PubChem CID
12372267

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
76.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
7

Related reactions

2 records
New reaction record

Compound notes

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