benzenecarbothioamide;furan

C11H11NOS — CID 162109798

IUPACbenzenecarbothioamide;furan
SMILESNC(=S)c1ccccc1.c1ccoc1
InChIInChI=1S/C7H7NS.C4H4O/c8-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5H,(H2,8,9);1-4H
InChIKeyZFZNWSURAGOQDC-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.60
Rot. Bonds1

About benzenecarbothioamide;furan

benzenecarbothioamide;furan (PubChem CID 162109798) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is benzenecarbothioamide;furan.

Molecular Properties

Compound Namebenzenecarbothioamide;furan
PubChem CID162109798
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Namebenzenecarbothioamide;furan
SMILESNC(=S)c1ccccc1.c1ccoc1
InChIInChI=1S/C7H7NS.C4H4O/c8-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5H,(H2,8,9);1-4H
InChIKeyZFZNWSURAGOQDC-UHFFFAOYSA-N
XLogP2.60
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzoyl iodide;furan
CID 174563356
2-aminobenzamide;benzenecarbothioamide
CID 175524927
4-anilinobenzenecarbothioamide
CID 3008553
4-(4-carbamothioylphenyl)benzenecarbothioamide
CID 101047178
(E)-2-phenylbut-2-enethioamide
CID 158611292
bis(pyridin-1-ium-4-carbothioamide) diiodide
CID 139086575
benzenecarbothioamide;dimethyl-[(2-methylphenyl)methylidene]azanium
CID 174445897
3-amino-3-phenylprop-2-enethioamide
CID 71410978
O-sulfanyl benzenecarbothioate
CID 141463244
phenol;thiourea
CID 88698794
phenyl(sulfanylidene)methaneselenolate
CID 101182419
4-morpholin-4-ylbenzenecarbothioamide
CID 2795360

Frequently Asked Questions

What is the IUPAC name of benzenecarbothioamide;furan?
The IUPAC name of benzenecarbothioamide;furan (CID 162109798) is benzenecarbothioamide;furan.
What is the SMILES notation for benzenecarbothioamide;furan?
The canonical SMILES for benzenecarbothioamide;furan is NC(=S)c1ccccc1.c1ccoc1.
What is the InChIKey of benzenecarbothioamide;furan?
The InChIKey is ZFZNWSURAGOQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS.C4H4O/c8-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5H,(H2,8,9);1-4H.
What are the key properties of benzenecarbothioamide;furan?
benzenecarbothioamide;furan has a molecular weight of 205.28 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzenecarbothioamide;furan is sourced from PubChem (CID 162109798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).