[benzylsulfanyl(methylsulfanyl)methylidene]cyanamide

C10H10N2S2 — CID 14142246

IUPAC[benzylsulfanyl(methylsulfanyl)methylidene]cyanamide
SMILESCS/C(=N\C#N)SCc1ccccc1
InChIInChI=1S/C10H10N2S2/c1-13-10(12-8-11)14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3/b12-10+
InChIKeyBMYNUOMHBWFKAH-ZRDIBKRKSA-N
MW222.34 g/mol
LogP3.12
Rot. Bonds2

About [benzylsulfanyl(methylsulfanyl)methylidene]cyanamide

[benzylsulfanyl(methylsulfanyl)methylidene]cyanamide (PubChem CID 14142246) has the molecular formula C10H10N2S2 and a molecular weight of 222.34 g/mol. Its IUPAC name is [benzylsulfanyl(methylsulfanyl)methylidene]cyanamide.

Molecular Properties

Compound Name[benzylsulfanyl(methylsulfanyl)methylidene]cyanamide
PubChem CID14142246
Molecular FormulaC10H10N2S2
Molecular Weight222.34 g/mol
Exact Mass222.03
IUPAC Name[benzylsulfanyl(methylsulfanyl)methylidene]cyanamide
SMILESCS/C(=N\C#N)SCc1ccccc1
InChIInChI=1S/C10H10N2S2/c1-13-10(12-8-11)14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3/b12-10+
InChIKeyBMYNUOMHBWFKAH-ZRDIBKRKSA-N
XLogP3.12
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Benzyl Thiocyanate
CID 18170
2-Benzylthio-2-thiazoline
CID 275677
Cinnamyl thiocyanic acid
CID 637819
p-Xylylene Dithiocyanate
CID 4460705
3-Methylbenzyl thiocyanate
CID 97015
Thiocyanic acid, p-methylbenzyl ester
CID 186039
Dibenzyl cyanocarbonimidodithioate
CID 821945
5-Benzylthio-3-hydroxy-1,2,4-thiadiazole
CID 2756659
Potassium (E)-(benzylsulfanyl)(cyanoimino)methanethiolate
CID 23683334
2-Phenylethyl thiocyanate
CID 12376017
2-(Diethylamino)-4-phenyl-1,3-dithiol-1-ium
CID 911691
[Bis(methylsulfanyl)methyl]benzene
CID 586329

Frequently Asked Questions

What is the IUPAC name of [benzylsulfanyl(methylsulfanyl)methylidene]cyanamide?
The IUPAC name of [benzylsulfanyl(methylsulfanyl)methylidene]cyanamide (CID 14142246) is [benzylsulfanyl(methylsulfanyl)methylidene]cyanamide.
What is the SMILES notation for [benzylsulfanyl(methylsulfanyl)methylidene]cyanamide?
The canonical SMILES for [benzylsulfanyl(methylsulfanyl)methylidene]cyanamide is CS/C(=N\C#N)SCc1ccccc1.
What is the InChIKey of [benzylsulfanyl(methylsulfanyl)methylidene]cyanamide?
The InChIKey is BMYNUOMHBWFKAH-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H10N2S2/c1-13-10(12-8-11)14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3/b12-10+.
What are the key properties of [benzylsulfanyl(methylsulfanyl)methylidene]cyanamide?
[benzylsulfanyl(methylsulfanyl)methylidene]cyanamide has a molecular weight of 222.34 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [benzylsulfanyl(methylsulfanyl)methylidene]cyanamide is sourced from PubChem (CID 14142246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).