N-phenyl-N-(phenylcarbamothioyl)formamide

C14H12N2OS — CID 110272511

IUPACN-phenyl-N-(phenylcarbamothioyl)formamide
SMILESO=CN(C(=S)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C14H12N2OS/c17-11-16(13-9-5-2-6-10-13)14(18)15-12-7-3-1-4-8-12/h1-11H,(H,15,18)
InChIKeySHOBWMNBDBSOOB-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.05
Rot. Bonds3

About N-phenyl-N-(phenylcarbamothioyl)formamide

N-phenyl-N-(phenylcarbamothioyl)formamide (PubChem CID 110272511) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is N-phenyl-N-(phenylcarbamothioyl)formamide.

Molecular Properties

Compound NameN-phenyl-N-(phenylcarbamothioyl)formamide
PubChem CID110272511
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC NameN-phenyl-N-(phenylcarbamothioyl)formamide
SMILESO=CN(C(=S)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C14H12N2OS/c17-11-16(13-9-5-2-6-10-13)14(18)15-12-7-3-1-4-8-12/h1-11H,(H,15,18)
InChIKeySHOBWMNBDBSOOB-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-anilino-1,3-diphenylthiourea
CID 71327325
1-(dimethylamino)-1,3-diphenylthiourea
CID 174700414
1-methanehydrazonoyl-3-(4-nitrophenyl)-1-phenylthiourea
CID 71390613
1-(2-hydroxyethyl)-1,3-diphenylthiourea
CID 838392
1-[(E)-phenacylideneamino]-1,3-diphenylthiourea
CID 15176490
1,1-bis(4-hydroxyphenyl)-3-phenylthiourea
CID 4673242
2-phenoxy-N-phenyl-N-(phenylcarbamothioyl)acetamide
CID 87658528
1,3-dimethyl-1-[N-(phenylcarbamothioyl)anilino]thiourea
CID 88817673
1-(aminosulfanylmethyl)-1,3-diphenylthiourea
CID 90755015
1-[2-(diethylamino)ethyl]-1,3-diphenylthiourea
CID 5140739
N-(1-chloro-2,2-diphenylethenyl)-N-phenylformamide
CID 71334074
N,N',N'-triphenyloxamide
CID 54357836

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(phenylcarbamothioyl)formamide?
The IUPAC name of N-phenyl-N-(phenylcarbamothioyl)formamide (CID 110272511) is N-phenyl-N-(phenylcarbamothioyl)formamide.
What is the SMILES notation for N-phenyl-N-(phenylcarbamothioyl)formamide?
The canonical SMILES for N-phenyl-N-(phenylcarbamothioyl)formamide is O=CN(C(=S)Nc1ccccc1)c1ccccc1.
What is the InChIKey of N-phenyl-N-(phenylcarbamothioyl)formamide?
The InChIKey is SHOBWMNBDBSOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c17-11-16(13-9-5-2-6-10-13)14(18)15-12-7-3-1-4-8-12/h1-11H,(H,15,18).
What are the key properties of N-phenyl-N-(phenylcarbamothioyl)formamide?
N-phenyl-N-(phenylcarbamothioyl)formamide has a molecular weight of 256.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(phenylcarbamothioyl)formamide is sourced from PubChem (CID 110272511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).