benzenesulfinylurea

C7H8N2O2S — CID 18678947

IUPACbenzenesulfinylurea
SMILESNC(=O)NS(=O)c1ccccc1
InChIInChI=1S/C7H8N2O2S/c8-7(10)9-12(11)6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
InChIKeyNNHSFBDNDJBVBD-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.38
Rot. Bonds2

About benzenesulfinylurea

benzenesulfinylurea (PubChem CID 18678947) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is benzenesulfinylurea.

Molecular Properties

Compound Namebenzenesulfinylurea
PubChem CID18678947
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Namebenzenesulfinylurea
SMILESNC(=O)NS(=O)c1ccccc1
InChIInChI=1S/C7H8N2O2S/c8-7(10)9-12(11)6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
InChIKeyNNHSFBDNDJBVBD-UHFFFAOYSA-N
XLogP0.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-4-methyl-N-[(R)-phenylsulfinyl]pentanamide;(2S)-2-amino-4-methyl-N-[(S)-phenylsulfinyl]pentanamide
CID 158890382
2-amino-N-(benzenesulfinyl)-5-(diaminomethylideneamino)pentanamide
CID 134416273
benzenesulfinylbenzene;1,1-diaminourea
CID 174862633
4-methyl-N-(1-phenylethenyl)benzenesulfinamide
CID 134881500
benzenesulfinic acid;copper
CID 131882722
1-(benzenesulfinyl)-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)urea
CID 10041405
Lithium benzoate, 99%
CID 57451198
carbamic acid;naphthalene
CID 162082147
1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene
CID 102303456
molecular hydrogen;phenylurea
CID 143657584
CID 23295394
CID 23295394
benzoic acid;sulfurous acid
CID 67918797

Frequently Asked Questions

What is the IUPAC name of benzenesulfinylurea?
The IUPAC name of benzenesulfinylurea (CID 18678947) is benzenesulfinylurea.
What is the SMILES notation for benzenesulfinylurea?
The canonical SMILES for benzenesulfinylurea is NC(=O)NS(=O)c1ccccc1.
What is the InChIKey of benzenesulfinylurea?
The InChIKey is NNHSFBDNDJBVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c8-7(10)9-12(11)6-4-2-1-3-5-6/h1-5H,(H3,8,9,10).
What are the key properties of benzenesulfinylurea?
benzenesulfinylurea has a molecular weight of 184.22 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfinylurea is sourced from PubChem (CID 18678947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).