3,5-bis(sulfanyl)benzamide

C7H7NOS2 — CID 22988615

IUPAC3,5-bis(sulfanyl)benzamide
SMILESNC(=O)c1cc(S)cc(S)c1
InChIInChI=1S/C7H7NOS2/c8-7(9)4-1-5(10)3-6(11)2-4/h1-3,10-11H,(H2,8,9)
InChIKeyKLRCJFXMOTZBTI-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.36
Rot. Bonds1

About 3,5-bis(sulfanyl)benzamide

3,5-bis(sulfanyl)benzamide (PubChem CID 22988615) has the molecular formula C7H7NOS2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3,5-bis(sulfanyl)benzamide.

Molecular Properties

Compound Name3,5-bis(sulfanyl)benzamide
PubChem CID22988615
Molecular FormulaC7H7NOS2
Molecular Weight185.27 g/mol
Exact Mass185.00
IUPAC Name3,5-bis(sulfanyl)benzamide
SMILESNC(=O)c1cc(S)cc(S)c1
InChIInChI=1S/C7H7NOS2/c8-7(9)4-1-5(10)3-6(11)2-4/h1-3,10-11H,(H2,8,9)
InChIKeyKLRCJFXMOTZBTI-UHFFFAOYSA-N
XLogP1.36
TPSA43.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

sodium 2-sulfanylbenzene-1,3,5-tricarboxamide
CID 22351625
acetic acid;benzene-1,3,5-trithiol
CID 174608494
1-[3,5-bis(sulfanyl)phenyl]propan-1-one
CID 118852624
1-[3,5-bis(sulfanyl)phenyl]-2-chloropropan-1-one
CID 131138032
3,5-dichloro-4-iodobenzamide
CID 50849721
benzene-1,2-diamine;benzene-1,3,5-tricarboxamide
CID 67830844
3-carbamoyl-5-ethenylbenzoic acid
CID 69341788
potassium;benzene-1,4-dicarboxamide;hydride
CID 174539787
3,5-dinitrobenzamide;hydrochloride
CID 172864761
5-carbamoyl-1-N,3-N-dihydroxybenzene-1,3-diamine oxide
CID 23615861
4-hydroxy-3,5-bis(prop-2-enyl)benzamide
CID 70425276
azanium 3-amino-5-carbamoylbenzoate
CID 135371031

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(sulfanyl)benzamide?
The IUPAC name of 3,5-bis(sulfanyl)benzamide (CID 22988615) is 3,5-bis(sulfanyl)benzamide.
What is the SMILES notation for 3,5-bis(sulfanyl)benzamide?
The canonical SMILES for 3,5-bis(sulfanyl)benzamide is NC(=O)c1cc(S)cc(S)c1.
What is the InChIKey of 3,5-bis(sulfanyl)benzamide?
The InChIKey is KLRCJFXMOTZBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS2/c8-7(9)4-1-5(10)3-6(11)2-4/h1-3,10-11H,(H2,8,9).
What are the key properties of 3,5-bis(sulfanyl)benzamide?
3,5-bis(sulfanyl)benzamide has a molecular weight of 185.27 g/mol, XLogP of 1.36, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(sulfanyl)benzamide is sourced from PubChem (CID 22988615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).