1,3,5-dithiazinane-4,6-diimine

C3H5N3S2 — CID 176522482

IUPAC1,3,5-dithiazinane-4,6-diimine
SMILES[H]/N=C1/N/C(=N/[H])SCS1
InChIInChI=1S/C3H5N3S2/c4-2-6-3(5)8-1-7-2/h1H2,(H3,4,5,6)
InChIKeyGZSWSZUZJFCFHF-UHFFFAOYSA-N
MW147.23 g/mol
LogP0.88
Rot. Bonds

About 1,3,5-dithiazinane-4,6-diimine

1,3,5-dithiazinane-4,6-diimine (PubChem CID 176522482) has the molecular formula C3H5N3S2 and a molecular weight of 147.23 g/mol. Its IUPAC name is 1,3,5-dithiazinane-4,6-diimine.

Molecular Properties

Compound Name1,3,5-dithiazinane-4,6-diimine
PubChem CID176522482
Molecular FormulaC3H5N3S2
Molecular Weight147.23 g/mol
Exact Mass146.99
IUPAC Name1,3,5-dithiazinane-4,6-diimine
SMILES[H]/N=C1/N/C(=N/[H])SCS1
InChIInChI=1S/C3H5N3S2/c4-2-6-3(5)8-1-7-2/h1H2,(H3,4,5,6)
InChIKeyGZSWSZUZJFCFHF-UHFFFAOYSA-N
XLogP0.88
TPSA59.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.23
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1,3-thiazinan-2-imine
CID 21403285
ethane;4-imino-1-methylimidazolidin-2-one
CID 142360748
2-imino-7,7-dimethyl-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one
CID 143147006
methyl 2-imino-4-oxo-1,3-thiazolidine-5-carboxylate
CID 142727549
(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135634856
2-imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 155899188
5-(7-methoxyheptyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 176519632
5-ethyl-2-imino-5-(2-methylpropyl)-1,3-thiazolidin-4-one
CID 146674348
(5Z)-5-[(2,4-dimethylphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154735586
5-(2-butoxyethyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrobromide
CID 176521140
(5E)-2-imino-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 138376602
2-imino-6-phenyl-1,3-thiazinan-4-one
CID 171370249

Frequently Asked Questions

What is the IUPAC name of 1,3,5-dithiazinane-4,6-diimine?
The IUPAC name of 1,3,5-dithiazinane-4,6-diimine (CID 176522482) is 1,3,5-dithiazinane-4,6-diimine.
What is the SMILES notation for 1,3,5-dithiazinane-4,6-diimine?
The canonical SMILES for 1,3,5-dithiazinane-4,6-diimine is [H]/N=C1/N/C(=N/[H])SCS1.
What is the InChIKey of 1,3,5-dithiazinane-4,6-diimine?
The InChIKey is GZSWSZUZJFCFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3S2/c4-2-6-3(5)8-1-7-2/h1H2,(H3,4,5,6).
What are the key properties of 1,3,5-dithiazinane-4,6-diimine?
1,3,5-dithiazinane-4,6-diimine has a molecular weight of 147.23 g/mol, XLogP of 0.88, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-dithiazinane-4,6-diimine is sourced from PubChem (CID 176522482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).