6-amino-4-butoxy-1,3,5-thiadiazine-2-thione

C7H11N3OS2 — CID 15681566

IUPAC6-amino-4-butoxy-1,3,5-thiadiazine-2-thione
SMILESCCCCOc1nc(N)sc(=S)n1
InChIInChI=1S/C7H11N3OS2/c1-2-3-4-11-6-9-5(8)13-7(12)10-6/h2-4H2,1H3,(H2,8,9,10,12)
InChIKeyPZEGOWCXNAUPNU-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.03
Rot. Bonds4

About 6-amino-4-butoxy-1,3,5-thiadiazine-2-thione

6-amino-4-butoxy-1,3,5-thiadiazine-2-thione (PubChem CID 15681566) has the molecular formula C7H11N3OS2 and a molecular weight of 217.32 g/mol. Its IUPAC name is 6-amino-4-butoxy-1,3,5-thiadiazine-2-thione.

Molecular Properties

Compound Name6-amino-4-butoxy-1,3,5-thiadiazine-2-thione
PubChem CID15681566
Molecular FormulaC7H11N3OS2
Molecular Weight217.32 g/mol
Exact Mass217.03
IUPAC Name6-amino-4-butoxy-1,3,5-thiadiazine-2-thione
SMILESCCCCOc1nc(N)sc(=S)n1
InChIInChI=1S/C7H11N3OS2/c1-2-3-4-11-6-9-5(8)13-7(12)10-6/h2-4H2,1H3,(H2,8,9,10,12)
InChIKeyPZEGOWCXNAUPNU-UHFFFAOYSA-N
XLogP2.03
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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3-[[4-butoxy-6-(3-sulfonatopropoxy)-1,3,5-triazin-2-yl]oxy]propane-1-sulfonate
CID 20821804
4-butoxy-1-hydroxy-6-imino-1,3,5-triazin-2-amine
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2-octoxypyrimidin-5-amine
CID 61145971
2-chloro-4,6-dioctadecoxy-1,3,5-triazine
CID 14236381
2-N,2-N-dimethyl-6-octoxy-1,3,5-triazine-2,4-diamine
CID 80861351
2-butoxy-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 146188042
2-butoxy-6-chloro-5-nitropyrimidin-4-amine
CID 118939933
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CID 139944398
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CID 107545811

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-butoxy-1,3,5-thiadiazine-2-thione?
The IUPAC name of 6-amino-4-butoxy-1,3,5-thiadiazine-2-thione (CID 15681566) is 6-amino-4-butoxy-1,3,5-thiadiazine-2-thione.
What is the SMILES notation for 6-amino-4-butoxy-1,3,5-thiadiazine-2-thione?
The canonical SMILES for 6-amino-4-butoxy-1,3,5-thiadiazine-2-thione is CCCCOc1nc(N)sc(=S)n1.
What is the InChIKey of 6-amino-4-butoxy-1,3,5-thiadiazine-2-thione?
The InChIKey is PZEGOWCXNAUPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS2/c1-2-3-4-11-6-9-5(8)13-7(12)10-6/h2-4H2,1H3,(H2,8,9,10,12).
What are the key properties of 6-amino-4-butoxy-1,3,5-thiadiazine-2-thione?
6-amino-4-butoxy-1,3,5-thiadiazine-2-thione has a molecular weight of 217.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-butoxy-1,3,5-thiadiazine-2-thione is sourced from PubChem (CID 15681566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).