iodo(trithiomorpholin-4-yl)-λ4-sulfane

C12H24IN3S4 — CID 131966374

IUPACiodo(trithiomorpholin-4-yl)-λ4-sulfane
SMILESIS(N1CCSCC1)(N1CCSCC1)N1CCSCC1
InChIInChI=1S/C12H24IN3S4/c13-20(14-1-7-17-8-2-14,15-3-9-18-10-4-15)16-5-11-19-12-6-16/h1-12H2
InChIKeySNPGPTQJANVECW-UHFFFAOYSA-N
MW465.52 g/mol
LogP3.03
Rot. Bonds3

About iodo(trithiomorpholin-4-yl)-λ4-sulfane

iodo(trithiomorpholin-4-yl)-λ4-sulfane (PubChem CID 131966374) has the molecular formula C12H24IN3S4 and a molecular weight of 465.52 g/mol. Its IUPAC name is iodo(trithiomorpholin-4-yl)-λ4-sulfane.

Molecular Properties

Compound Nameiodo(trithiomorpholin-4-yl)-λ4-sulfane
PubChem CID131966374
Molecular FormulaC12H24IN3S4
Molecular Weight465.52 g/mol
Exact Mass464.99
IUPAC Nameiodo(trithiomorpholin-4-yl)-λ4-sulfane
SMILESIS(N1CCSCC1)(N1CCSCC1)N1CCSCC1
InChIInChI=1S/C12H24IN3S4/c13-20(14-1-7-17-8-2-14,15-3-9-18-10-4-15)16-5-11-19-12-6-16/h1-12H2
InChIKeySNPGPTQJANVECW-UHFFFAOYSA-N
XLogP3.03
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

thiomorpholine-4-sulfonic acid
CID 68633206
N,N-dimethylthiomorpholine-4-sulfonamide
CID 59786661
4-(chloromethylsulfonyl)-1,4-thiazepane
CID 63666027
4-piperidin-1-ylthiomorpholine
CID 54433680
tert-butyl-imino-oxo-thiomorpholin-4-yl-λ6-sulfane
CID 164644449
thiomorpholin-4-ylsulfonylcarbamic acid
CID 68549835
4-[(2-sulfonyl-1,4-diazepan-1-yl)sulfonyl]thiomorpholine
CID 141155245
4-methylthiomorpholine
CID 523249
N-ethyl-N-methylthiomorpholine-4-sulfonamide
CID 58831796
4-but-3-ynylsulfonylthiomorpholine
CID 130708755
4-(1,4-thiazepan-4-ylsulfonyl)aniline
CID 61418861
1,5-dithiocane
CID 5259509

Frequently Asked Questions

What is the IUPAC name of iodo(trithiomorpholin-4-yl)-λ4-sulfane?
The IUPAC name of iodo(trithiomorpholin-4-yl)-λ4-sulfane (CID 131966374) is iodo(trithiomorpholin-4-yl)-λ4-sulfane.
What is the SMILES notation for iodo(trithiomorpholin-4-yl)-λ4-sulfane?
The canonical SMILES for iodo(trithiomorpholin-4-yl)-λ4-sulfane is IS(N1CCSCC1)(N1CCSCC1)N1CCSCC1.
What is the InChIKey of iodo(trithiomorpholin-4-yl)-λ4-sulfane?
The InChIKey is SNPGPTQJANVECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24IN3S4/c13-20(14-1-7-17-8-2-14,15-3-9-18-10-4-15)16-5-11-19-12-6-16/h1-12H2.
What are the key properties of iodo(trithiomorpholin-4-yl)-λ4-sulfane?
iodo(trithiomorpholin-4-yl)-λ4-sulfane has a molecular weight of 465.52 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for iodo(trithiomorpholin-4-yl)-λ4-sulfane is sourced from PubChem (CID 131966374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).