chloro(dimethyl)stannanylium;4-[(E)-furan-2-ylmethylideneamino]-5-methyl-1,2,4-triazole-3-thiolate

C10H13ClN4OSSn — CID 25146452

IUPACchloro(dimethyl)stannanylium;4-[(E)-furan-2-ylmethylideneamino]-5-methyl-1,2,4-triazole-3-thiolate
SMILESC[Sn+](C)Cl.Cc1nnc([S-])n1/N=C/c1ccco1
InChIInChI=1S/C8H8N4OS.2CH3.ClH.Sn/c1-6-10-11-8(14)12(6)9-5-7-3-2-4-13-7;;;;/h2-5H,1H3,(H,11,14);2*1H3;1H;/q;;;;+2/p-2/b9-5+;;;;
InChIKeyRSECXEFJSGCYSY-VMFMELAVSA-L
MW391.47 g/mol
LogP2.44
Rot. Bonds2

About chloro(dimethyl)stannanylium;4-[(E)-furan-2-ylmethylideneamino]-5-methyl-1,2,4-triazole-3-thiolate

chloro(dimethyl)stannanylium;4-[(E)-furan-2-ylmethylideneamino]-5-methyl-1,2,4-triazole-3-thiolate (PubChem CID 25146452) has the molecular formula C10H13ClN4OSSn and a molecular weight of 391.47 g/mol. Its IUPAC name is chloro(dimethyl)stannanylium;4-[(E)-furan-2-ylmethylideneamino]-5-methyl-1,2,4-triazole-3-thiolate.

Molecular Properties

Compound Namechloro(dimethyl)stannanylium;4-[(E)-furan-2-ylmethylideneamino]-5-methyl-1,2,4-triazole-3-thiolate
PubChem CID25146452
Molecular FormulaC10H13ClN4OSSn
Molecular Weight391.47 g/mol
Exact Mass391.95
IUPAC Namechloro(dimethyl)stannanylium;4-[(E)-furan-2-ylmethylideneamino]-5-methyl-1,2,4-triazole-3-thiolate
SMILESC[Sn+](C)Cl.Cc1nnc([S-])n1/N=C/c1ccco1
InChIInChI=1S/C8H8N4OS.2CH3.ClH.Sn/c1-6-10-11-8(14)12(6)9-5-7-3-2-4-13-7;;;;/h2-5H,1H3,(H,11,14);2*1H3;1H;/q;;;;+2/p-2/b9-5+;;;;
InChIKeyRSECXEFJSGCYSY-VMFMELAVSA-L
XLogP2.44
TPSA56.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(furan-2-yl)methanimine
CID 726902
4-(furan-2-ylmethylideneamino)-3-methyl-1H-1,2,4-triazole-5-thione
CID 2728541
(Z)-N-(3-ethyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-1-(furan-2-yl)methanimine
CID 110521878
4-(furan-2-ylmethylideneamino)-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 687665
(E)-3-[(E)-furan-2-ylmethylideneamino]-4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 6904728
(E)-1-(furan-2-yl)-N-trimethylsilylmethanimine
CID 10630921
7-chloro-6-fluoro-1-[[4-[(E)-furan-2-ylmethylideneamino]-5-methyl-1,2,4-triazol-3-yl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 139222283
2-[[4-[(Z)-furan-2-ylmethylideneamino]-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 9180590
3-ethyl-4-(furan-2-ylmethylideneamino)-1H-1,2,4-triazole-5-thione
CID 848005
4-[(E)-furan-2-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
CID 6862908
3-(2-chlorophenyl)-4-(furan-2-ylmethylideneamino)-1H-1,2,4-triazole-5-thione
CID 950712
(E)-1-(4-chlorophenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
CID 5337680

Frequently Asked Questions

What is the IUPAC name of chloro(dimethyl)stannanylium;4-[(E)-furan-2-ylmethylideneamino]-5-methyl-1,2,4-triazole-3-thiolate?
The IUPAC name of chloro(dimethyl)stannanylium;4-[(E)-furan-2-ylmethylideneamino]-5-methyl-1,2,4-triazole-3-thiolate (CID 25146452) is chloro(dimethyl)stannanylium;4-[(E)-furan-2-ylmethylideneamino]-5-methyl-1,2,4-triazole-3-thiolate.
What is the SMILES notation for chloro(dimethyl)stannanylium;4-[(E)-furan-2-ylmethylideneamino]-5-methyl-1,2,4-triazole-3-thiolate?
The canonical SMILES for chloro(dimethyl)stannanylium;4-[(E)-furan-2-ylmethylideneamino]-5-methyl-1,2,4-triazole-3-thiolate is C[Sn+](C)Cl.Cc1nnc([S-])n1/N=C/c1ccco1.
What is the InChIKey of chloro(dimethyl)stannanylium;4-[(E)-furan-2-ylmethylideneamino]-5-methyl-1,2,4-triazole-3-thiolate?
The InChIKey is RSECXEFJSGCYSY-VMFMELAVSA-L. The full InChI is InChI=1S/C8H8N4OS.2CH3.ClH.Sn/c1-6-10-11-8(14)12(6)9-5-7-3-2-4-13-7;;;;/h2-5H,1H3,(H,11,14);2*1H3;1H;/q;;;;+2/p-2/b9-5+;;;;.
What are the key properties of chloro(dimethyl)stannanylium;4-[(E)-furan-2-ylmethylideneamino]-5-methyl-1,2,4-triazole-3-thiolate?
chloro(dimethyl)stannanylium;4-[(E)-furan-2-ylmethylideneamino]-5-methyl-1,2,4-triazole-3-thiolate has a molecular weight of 391.47 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(dimethyl)stannanylium;4-[(E)-furan-2-ylmethylideneamino]-5-methyl-1,2,4-triazole-3-thiolate is sourced from PubChem (CID 25146452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).