bis(methylsulfanyl)methylidenecyanamide;propane

C7H14N2S2 — CID 155718770

IUPACbis(methylsulfanyl)methylidenecyanamide;propane
SMILESCCC.CSC(=NC#N)SC
InChIInChI=1S/C4H6N2S2.C3H8/c1-7-4(8-2)6-3-5;1-3-2/h1-2H3;3H2,1-2H3
InChIKeyRYZDJJAYMCSMKW-UHFFFAOYSA-N
MW190.34 g/mol
LogP2.97
Rot. Bonds

About bis(methylsulfanyl)methylidenecyanamide;propane

bis(methylsulfanyl)methylidenecyanamide;propane (PubChem CID 155718770) has the molecular formula C7H14N2S2 and a molecular weight of 190.34 g/mol. Its IUPAC name is bis(methylsulfanyl)methylidenecyanamide;propane.

Molecular Properties

Compound Namebis(methylsulfanyl)methylidenecyanamide;propane
PubChem CID155718770
Molecular FormulaC7H14N2S2
Molecular Weight190.34 g/mol
Exact Mass190.06
IUPAC Namebis(methylsulfanyl)methylidenecyanamide;propane
SMILESCCC.CSC(=NC#N)SC
InChIInChI=1S/C4H6N2S2.C3H8/c1-7-4(8-2)6-3-5;1-3-2/h1-2H3;3H2,1-2H3
InChIKeyRYZDJJAYMCSMKW-UHFFFAOYSA-N
XLogP2.97
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.34
LogP ≤ 52.97
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

N-cyano-1-methylsulfanylmethanimidoyl fluoride
CID 89240109
bis(octylsulfanyl)methylidenecyanamide
CID 15578933
bis(trimethylsilylmethylsulfanyl)methylidenecyanamide
CID 10379490
[chloromethylsulfanyl(dodecylsulfanyl)methylidene]cyanamide
CID 23658064
[(4-formylfuran-2-yl)methylsulfanyl-methylsulfanylmethylidene]cyanamide
CID 134891504
[(3-methoxyphenyl)sulfanyl-methylsulfanylmethylidene]cyanamide
CID 121235175
methyl 2-amino-N-cyano-4,4-dimethylpentanimidothioate
CID 173328444
[3-(2,3-dimethylphenoxy)propylsulfanyl-methylsulfanylmethylidene]cyanamide
CID 26598496
methyl N-cyano-2-ethyl-5-methylpyrrolidine-1-carboximidothioate
CID 83228006
acetonitrile;propane;propan-2-one
CID 18955680
methyl N-cyano-2-ethylpiperidine-1-carboximidothioate
CID 79015077
bis[[(2R)-2,3-dibromopropyl]sulfanyl]methylidenecyanamide
CID 124524366

Frequently Asked Questions

What is the IUPAC name of bis(methylsulfanyl)methylidenecyanamide;propane?
The IUPAC name of bis(methylsulfanyl)methylidenecyanamide;propane (CID 155718770) is bis(methylsulfanyl)methylidenecyanamide;propane.
What is the SMILES notation for bis(methylsulfanyl)methylidenecyanamide;propane?
The canonical SMILES for bis(methylsulfanyl)methylidenecyanamide;propane is CCC.CSC(=NC#N)SC.
What is the InChIKey of bis(methylsulfanyl)methylidenecyanamide;propane?
The InChIKey is RYZDJJAYMCSMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S2.C3H8/c1-7-4(8-2)6-3-5;1-3-2/h1-2H3;3H2,1-2H3.
What are the key properties of bis(methylsulfanyl)methylidenecyanamide;propane?
bis(methylsulfanyl)methylidenecyanamide;propane has a molecular weight of 190.34 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methylsulfanyl)methylidenecyanamide;propane is sourced from PubChem (CID 155718770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).