sulfamide;9H-thioxanthene

C13H14N2O2S2 — CID 174799944

IUPACsulfamide;9H-thioxanthene
SMILESNS(N)(=O)=O.c1ccc2c(c1)Cc1ccccc1S2
InChIInChI=1S/C13H10S.H4N2O2S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-5(2,3)4/h1-8H,9H2;(H4,1,2,3,4)
InChIKeyWEUKPNHMDZRZSP-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.89
Rot. Bonds

About sulfamide;9H-thioxanthene

sulfamide;9H-thioxanthene (PubChem CID 174799944) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is sulfamide;9H-thioxanthene.

Molecular Properties

Compound Namesulfamide;9H-thioxanthene
PubChem CID174799944
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC Namesulfamide;9H-thioxanthene
SMILESNS(N)(=O)=O.c1ccc2c(c1)Cc1ccccc1S2
InChIInChI=1S/C13H10S.H4N2O2S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-5(2,3)4/h1-8H,9H2;(H4,1,2,3,4)
InChIKeyWEUKPNHMDZRZSP-UHFFFAOYSA-N
XLogP1.89
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Thioxanthene
CID 67495
9H-thioxanthene 10-oxide
CID 5324695
Thioflavin
CID 22251
9H-Thioxanthene, 9,9-dimethyl-
CID 140463
4H-1-Benzothiopyran-4-thione, 2-phenyl-
CID 1210992
Thioxanthene, 10,10-dioxide
CID 596953
9H-thioxanthene-9-thione
CID 640634
9-Benzylidenethioxanthene
CID 4610689
Thioflavene
CID 12957315
9-Sulfinylthioxanthene 10,10-dioxide
CID 822046
Benzo[c]thiochromene-6-thione
CID 12287774
9H-thioxanthen-9-ide
CID 12600230

Frequently Asked Questions

What is the IUPAC name of sulfamide;9H-thioxanthene?
The IUPAC name of sulfamide;9H-thioxanthene (CID 174799944) is sulfamide;9H-thioxanthene.
What is the SMILES notation for sulfamide;9H-thioxanthene?
The canonical SMILES for sulfamide;9H-thioxanthene is NS(N)(=O)=O.c1ccc2c(c1)Cc1ccccc1S2.
What is the InChIKey of sulfamide;9H-thioxanthene?
The InChIKey is WEUKPNHMDZRZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10S.H4N2O2S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-5(2,3)4/h1-8H,9H2;(H4,1,2,3,4).
What are the key properties of sulfamide;9H-thioxanthene?
sulfamide;9H-thioxanthene has a molecular weight of 294.40 g/mol, XLogP of 1.89, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfamide;9H-thioxanthene is sourced from PubChem (CID 174799944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).