methyl N-[(E)-furan-2-ylmethylideneamino]carbamodithioate

C7H8N2OS2 — CID 6185558

IUPACmethyl N-[(E)-furan-2-ylmethylideneamino]carbamodithioate
SMILESCSC(=S)N/N=C/c1ccco1
InChIInChI=1S/C7H8N2OS2/c1-12-7(11)9-8-5-6-3-2-4-10-6/h2-5H,1H3,(H,9,11)/b8-5+
InChIKeyGXKUREAZOGOVFL-VMPITWQZSA-N
MW200.29 g/mol
LogP1.85
Rot. Bonds2

About methyl N-[(E)-furan-2-ylmethylideneamino]carbamodithioate

methyl N-[(E)-furan-2-ylmethylideneamino]carbamodithioate (PubChem CID 6185558) has the molecular formula C7H8N2OS2 and a molecular weight of 200.29 g/mol. Its IUPAC name is methyl N-[(E)-furan-2-ylmethylideneamino]carbamodithioate.

Molecular Properties

Compound Namemethyl N-[(E)-furan-2-ylmethylideneamino]carbamodithioate
PubChem CID6185558
Molecular FormulaC7H8N2OS2
Molecular Weight200.29 g/mol
Exact Mass200.01
IUPAC Namemethyl N-[(E)-furan-2-ylmethylideneamino]carbamodithioate
SMILESCSC(=S)N/N=C/c1ccco1
InChIInChI=1S/C7H8N2OS2/c1-12-7(11)9-8-5-6-3-2-4-10-6/h2-5H,1H3,(H,9,11)/b8-5+
InChIKeyGXKUREAZOGOVFL-VMPITWQZSA-N
XLogP1.85
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-furan-2-ylmethylideneamino]-3-methylthiourea
CID 5423286
(1E)-1-(furan-2-ylmethylidene)-3-[(E)-furan-2-ylmethylideneamino]thiourea
CID 127261639
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
copper;bis(methyl N-(benzylideneamino)carbamodithioate)
CID 50910613
(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
1-benzyl-3-[(Z)-furan-2-ylmethylideneamino]thiourea
CID 5415725
1-(furan-2-ylmethylideneamino)-3-(3-methoxypropyl)thiourea
CID 2826687
1,2-bis[(Z)-furan-2-ylmethylideneamino]guanidine
CID 6154529
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide
CID 5411378
N'-[(Z)-furan-2-ylmethylideneamino]-N-(4-methylphenyl)butanediamide
CID 6053974

Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-furan-2-ylmethylideneamino]carbamodithioate?
The IUPAC name of methyl N-[(E)-furan-2-ylmethylideneamino]carbamodithioate (CID 6185558) is methyl N-[(E)-furan-2-ylmethylideneamino]carbamodithioate.
What is the SMILES notation for methyl N-[(E)-furan-2-ylmethylideneamino]carbamodithioate?
The canonical SMILES for methyl N-[(E)-furan-2-ylmethylideneamino]carbamodithioate is CSC(=S)N/N=C/c1ccco1.
What is the InChIKey of methyl N-[(E)-furan-2-ylmethylideneamino]carbamodithioate?
The InChIKey is GXKUREAZOGOVFL-VMPITWQZSA-N. The full InChI is InChI=1S/C7H8N2OS2/c1-12-7(11)9-8-5-6-3-2-4-10-6/h2-5H,1H3,(H,9,11)/b8-5+.
What are the key properties of methyl N-[(E)-furan-2-ylmethylideneamino]carbamodithioate?
methyl N-[(E)-furan-2-ylmethylideneamino]carbamodithioate has a molecular weight of 200.29 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-furan-2-ylmethylideneamino]carbamodithioate is sourced from PubChem (CID 6185558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).