bis(methylsulfanyl)methyl-methylcyanamide

C5H10N2S2 — CID 134322093

IUPACbis(methylsulfanyl)methyl-methylcyanamide
SMILESCSC(SC)N(C)C#N
InChIInChI=1S/C5H10N2S2/c1-7(4-6)5(8-2)9-3/h5H,1-3H3
InChIKeyLWFJFHVXKDTHAS-UHFFFAOYSA-N
MW162.28 g/mol
LogP1.41
Rot. Bonds3

About bis(methylsulfanyl)methyl-methylcyanamide

bis(methylsulfanyl)methyl-methylcyanamide (PubChem CID 134322093) has the molecular formula C5H10N2S2 and a molecular weight of 162.28 g/mol. Its IUPAC name is bis(methylsulfanyl)methyl-methylcyanamide.

Molecular Properties

Compound Namebis(methylsulfanyl)methyl-methylcyanamide
PubChem CID134322093
Molecular FormulaC5H10N2S2
Molecular Weight162.28 g/mol
Exact Mass162.03
IUPAC Namebis(methylsulfanyl)methyl-methylcyanamide
SMILESCSC(SC)N(C)C#N
InChIInChI=1S/C5H10N2S2/c1-7(4-6)5(8-2)9-3/h5H,1-3H3
InChIKeyLWFJFHVXKDTHAS-UHFFFAOYSA-N
XLogP1.41
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl(methylsulfanyl)cyanamide
CID 141410976
methyl(pentan-3-yl)cyanamide
CID 87839420
1-hydroxypropan-2-yl(methyl)cyanamide
CID 104551890
hexan-2-yl(methyl)cyanamide
CID 130581220
methyl(1-phenylethyl)cyanamide
CID 117029364
dimethylamino(methyl)cyanamide
CID 119095573
N-(cyanomethyl)-N-methyl-2-methylsulfanylpropanamide
CID 123330470
methyl thiocyanate
CID 11168
1-[amino(methyl)amino]-N-methyl-1-methylsulfanylmethanamine
CID 163527015
hydron;methyl thiocyanate
CID 174813851
1-methyl-1-methylsulfanylhydrazine
CID 158947899
N,N-dimethylmethanamine;oxalonitrile;silane
CID 174689189

Frequently Asked Questions

What is the IUPAC name of bis(methylsulfanyl)methyl-methylcyanamide?
The IUPAC name of bis(methylsulfanyl)methyl-methylcyanamide (CID 134322093) is bis(methylsulfanyl)methyl-methylcyanamide.
What is the SMILES notation for bis(methylsulfanyl)methyl-methylcyanamide?
The canonical SMILES for bis(methylsulfanyl)methyl-methylcyanamide is CSC(SC)N(C)C#N.
What is the InChIKey of bis(methylsulfanyl)methyl-methylcyanamide?
The InChIKey is LWFJFHVXKDTHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S2/c1-7(4-6)5(8-2)9-3/h5H,1-3H3.
What are the key properties of bis(methylsulfanyl)methyl-methylcyanamide?
bis(methylsulfanyl)methyl-methylcyanamide has a molecular weight of 162.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methylsulfanyl)methyl-methylcyanamide is sourced from PubChem (CID 134322093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).