[2-(carbamothioylamino)phenyl]thiourea

C8H10N4S2 — CID 21412484

IUPAC[2-(carbamothioylamino)phenyl]thiourea
SMILESNC(=S)Nc1ccccc1NC(N)=S
InChIInChI=1S/C8H10N4S2/c9-7(13)11-5-3-1-2-4-6(5)12-8(10)14/h1-4H,(H3,9,11,13)(H3,10,12,14)
InChIKeyRVJHDCPHSAUCEV-UHFFFAOYSA-N
MW226.33 g/mol
LogP1.00
Rot. Bonds2

About [2-(carbamothioylamino)phenyl]thiourea

[2-(carbamothioylamino)phenyl]thiourea (PubChem CID 21412484) has the molecular formula C8H10N4S2 and a molecular weight of 226.33 g/mol. Its IUPAC name is [2-(carbamothioylamino)phenyl]thiourea.

Molecular Properties

Compound Name[2-(carbamothioylamino)phenyl]thiourea
PubChem CID21412484
Molecular FormulaC8H10N4S2
Molecular Weight226.33 g/mol
Exact Mass226.03
IUPAC Name[2-(carbamothioylamino)phenyl]thiourea
SMILESNC(=S)Nc1ccccc1NC(N)=S
InChIInChI=1S/C8H10N4S2/c9-7(13)11-5-3-1-2-4-6(5)12-8(10)14/h1-4H,(H3,9,11,13)(H3,10,12,14)
InChIKeyRVJHDCPHSAUCEV-UHFFFAOYSA-N
XLogP1.00
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(methylamino)phenyl]thiourea
CID 91755766
[5-(carbamothioylamino)naphthalen-1-yl]thiourea
CID 102223311
[2-(2-methylphenyl)phenyl]thiourea
CID 15175535
(2-isothiocyanatophenyl)thiourea
CID 88656762
1-[2-(carbamothioylamino)phenyl]-1-methylthiourea
CID 141368736
(2-cyclopentylphenyl)thiourea
CID 123980328
[2-(3-oxoprop-1-enyl)phenyl]thiourea
CID 169459353
(9,10-dioxoanthracen-1-yl)thiourea
CID 82030669
(2-propanoylphenyl)thiourea
CID 169357022
(3-fluoro-2-iodophenyl)thiourea
CID 130498613
(2-bromo-3-iodophenyl)thiourea
CID 22438170
sodium;hydride;phenylthiourea
CID 174376840

Frequently Asked Questions

What is the IUPAC name of [2-(carbamothioylamino)phenyl]thiourea?
The IUPAC name of [2-(carbamothioylamino)phenyl]thiourea (CID 21412484) is [2-(carbamothioylamino)phenyl]thiourea.
What is the SMILES notation for [2-(carbamothioylamino)phenyl]thiourea?
The canonical SMILES for [2-(carbamothioylamino)phenyl]thiourea is NC(=S)Nc1ccccc1NC(N)=S.
What is the InChIKey of [2-(carbamothioylamino)phenyl]thiourea?
The InChIKey is RVJHDCPHSAUCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S2/c9-7(13)11-5-3-1-2-4-6(5)12-8(10)14/h1-4H,(H3,9,11,13)(H3,10,12,14).
What are the key properties of [2-(carbamothioylamino)phenyl]thiourea?
[2-(carbamothioylamino)phenyl]thiourea has a molecular weight of 226.33 g/mol, XLogP of 1.00, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamothioylamino)phenyl]thiourea is sourced from PubChem (CID 21412484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).