[(7-fluoro-1-benzothiophen-6-yl)methylideneamino]thiourea

C10H8FN3S2 — CID 168536075

IUPAC[(7-fluoro-1-benzothiophen-6-yl)methylideneamino]thiourea
SMILESNC(=S)NN=Cc1ccc2ccsc2c1F
InChIInChI=1S/C10H8FN3S2/c11-8-7(5-13-14-10(12)15)2-1-6-3-4-16-9(6)8/h1-5H,(H3,12,14,15)
InChIKeyAJRDGXNPWYOKMS-UHFFFAOYSA-N
MW253.33 g/mol
LogP2.21
Rot. Bonds2

About [(7-fluoro-1-benzothiophen-6-yl)methylideneamino]thiourea

[(7-fluoro-1-benzothiophen-6-yl)methylideneamino]thiourea (PubChem CID 168536075) has the molecular formula C10H8FN3S2 and a molecular weight of 253.33 g/mol. Its IUPAC name is [(7-fluoro-1-benzothiophen-6-yl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(7-fluoro-1-benzothiophen-6-yl)methylideneamino]thiourea
PubChem CID168536075
Molecular FormulaC10H8FN3S2
Molecular Weight253.33 g/mol
Exact Mass253.01
IUPAC Name[(7-fluoro-1-benzothiophen-6-yl)methylideneamino]thiourea
SMILESNC(=S)NN=Cc1ccc2ccsc2c1F
InChIInChI=1S/C10H8FN3S2/c11-8-7(5-13-14-10(12)15)2-1-6-3-4-16-9(6)8/h1-5H,(H3,12,14,15)
InChIKeyAJRDGXNPWYOKMS-UHFFFAOYSA-N
XLogP2.21
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 52.21
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

[(4-chloro-2,3-difluorophenyl)methylideneamino]thiourea
CID 168534955
[[2,3-difluoro-4-(trifluoromethyl)phenyl]methylideneamino]thiourea
CID 168536298
[(3-chloro-2-fluorophenyl)methylideneamino]thiourea
CID 168511565
[(5-bromo-2,3-difluoro-4-hydroxyphenyl)methylideneamino]thiourea
CID 168536107
[(5-chloro-2-fluorophenyl)methylideneamino]thiourea
CID 168534129
[(2,3,6-trifluorophenyl)methylideneamino]thiourea
CID 168534157
[(2-chloro-3-fluoro-4-methoxyphenyl)methylideneamino]thiourea
CID 168536118
[(2-bromo-4-methylphenyl)methylideneamino]thiourea
CID 168534183
[(2-chloroquinolin-3-yl)methylideneamino]thiourea
CID 71333342
[(2-bromo-5-hydroxyphenyl)methylideneamino]thiourea
CID 168534135
[(8-hydroxyquinolin-7-yl)methylideneamino]thiourea
CID 141427358
[(6-bromo-2-fluoro-3-methoxyphenyl)methylideneamino]thiourea
CID 168536111

Frequently Asked Questions

What is the IUPAC name of [(7-fluoro-1-benzothiophen-6-yl)methylideneamino]thiourea?
The IUPAC name of [(7-fluoro-1-benzothiophen-6-yl)methylideneamino]thiourea (CID 168536075) is [(7-fluoro-1-benzothiophen-6-yl)methylideneamino]thiourea.
What is the SMILES notation for [(7-fluoro-1-benzothiophen-6-yl)methylideneamino]thiourea?
The canonical SMILES for [(7-fluoro-1-benzothiophen-6-yl)methylideneamino]thiourea is NC(=S)NN=Cc1ccc2ccsc2c1F.
What is the InChIKey of [(7-fluoro-1-benzothiophen-6-yl)methylideneamino]thiourea?
The InChIKey is AJRDGXNPWYOKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3S2/c11-8-7(5-13-14-10(12)15)2-1-6-3-4-16-9(6)8/h1-5H,(H3,12,14,15).
What are the key properties of [(7-fluoro-1-benzothiophen-6-yl)methylideneamino]thiourea?
[(7-fluoro-1-benzothiophen-6-yl)methylideneamino]thiourea has a molecular weight of 253.33 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(7-fluoro-1-benzothiophen-6-yl)methylideneamino]thiourea is sourced from PubChem (CID 168536075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).