[(E)-(5-chlorofuran-2-yl)methylideneamino]thiourea

C6H6ClN3OS — CID 60723528

IUPAC[(E)-(5-chlorofuran-2-yl)methylideneamino]thiourea
SMILESNC(=S)N/N=C/c1ccc(Cl)o1
InChIInChI=1S/C6H6ClN3OS/c7-5-2-1-4(11-5)3-9-10-6(8)12/h1-3H,(H3,8,10,12)/b9-3+
InChIKeyBAYZOLVAXQJRPN-YCRREMRBSA-N
MW203.65 g/mol
LogP1.10
Rot. Bonds2

About [(E)-(5-chlorofuran-2-yl)methylideneamino]thiourea

[(E)-(5-chlorofuran-2-yl)methylideneamino]thiourea (PubChem CID 60723528) has the molecular formula C6H6ClN3OS and a molecular weight of 203.65 g/mol. Its IUPAC name is [(E)-(5-chlorofuran-2-yl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-(5-chlorofuran-2-yl)methylideneamino]thiourea
PubChem CID60723528
Molecular FormulaC6H6ClN3OS
Molecular Weight203.65 g/mol
Exact Mass202.99
IUPAC Name[(E)-(5-chlorofuran-2-yl)methylideneamino]thiourea
SMILESNC(=S)N/N=C/c1ccc(Cl)o1
InChIInChI=1S/C6H6ClN3OS/c7-5-2-1-4(11-5)3-9-10-6(8)12/h1-3H,(H3,8,10,12)/b9-3+
InChIKeyBAYZOLVAXQJRPN-YCRREMRBSA-N
XLogP1.10
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.65
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[(5-methylfuran-2-yl)methylideneamino]thiourea
CID 711000
[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]thiourea
CID 841815
[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]thiourea
CID 21235204
[(Z)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]thiourea
CID 5419039
(NZ)-N-[(5-chlorofuran-2-yl)methylidene]hydroxylamine
CID 25489707
[(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea
CID 14174868
methyl 2-[5-[(Z)-(carbamothioylhydrazinylidene)methyl]furan-2-yl]-4-chlorobenzoate
CID 5427183
[(5-chloro-2-fluorophenyl)methylideneamino]thiourea
CID 168534129
benzene;[(E)-(4-chlorophenyl)methylideneamino]thiourea;chlororuthenium(1+)
CID 86574279
[(Z)-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methylideneamino]thiourea
CID 99972923
[(E)-[5-(3-fluoro-5-methylphenyl)furan-2-yl]methylideneamino]thiourea
CID 142921367
[[5-[(4-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]thiourea
CID 135990550

Frequently Asked Questions

What is the IUPAC name of [(E)-(5-chlorofuran-2-yl)methylideneamino]thiourea?
The IUPAC name of [(E)-(5-chlorofuran-2-yl)methylideneamino]thiourea (CID 60723528) is [(E)-(5-chlorofuran-2-yl)methylideneamino]thiourea.
What is the SMILES notation for [(E)-(5-chlorofuran-2-yl)methylideneamino]thiourea?
The canonical SMILES for [(E)-(5-chlorofuran-2-yl)methylideneamino]thiourea is NC(=S)N/N=C/c1ccc(Cl)o1.
What is the InChIKey of [(E)-(5-chlorofuran-2-yl)methylideneamino]thiourea?
The InChIKey is BAYZOLVAXQJRPN-YCRREMRBSA-N. The full InChI is InChI=1S/C6H6ClN3OS/c7-5-2-1-4(11-5)3-9-10-6(8)12/h1-3H,(H3,8,10,12)/b9-3+.
What are the key properties of [(E)-(5-chlorofuran-2-yl)methylideneamino]thiourea?
[(E)-(5-chlorofuran-2-yl)methylideneamino]thiourea has a molecular weight of 203.65 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(5-chlorofuran-2-yl)methylideneamino]thiourea is sourced from PubChem (CID 60723528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).