1-carbamothioyl-3-carbamoylurea

C3H6N4O2S — CID 57033303

IUPAC1-carbamothioyl-3-carbamoylurea
SMILESNC(=O)NC(=O)NC(N)=S
InChIInChI=1S/C3H6N4O2S/c4-1(8)6-3(9)7-2(5)10/h(H6,4,5,6,7,8,9,10)
InChIKeyROWVDIZQFUJNDO-UHFFFAOYSA-N
MW162.17 g/mol
LogP-1.39
Rot. Bonds

About 1-carbamothioyl-3-carbamoylurea

1-carbamothioyl-3-carbamoylurea (PubChem CID 57033303) has the molecular formula C3H6N4O2S and a molecular weight of 162.17 g/mol. Its IUPAC name is 1-carbamothioyl-3-carbamoylurea.

Molecular Properties

Compound Name1-carbamothioyl-3-carbamoylurea
PubChem CID57033303
Molecular FormulaC3H6N4O2S
Molecular Weight162.17 g/mol
Exact Mass162.02
IUPAC Name1-carbamothioyl-3-carbamoylurea
SMILESNC(=O)NC(=O)NC(N)=S
InChIInChI=1S/C3H6N4O2S/c4-1(8)6-3(9)7-2(5)10/h(H6,4,5,6,7,8,9,10)
InChIKeyROWVDIZQFUJNDO-UHFFFAOYSA-N
XLogP-1.39
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carbamoylurea;copper;thiourea
CID 175029091
N-(carbamoylcarbamoyl)carbamoyl fluoride
CID 22166147
N-carbamothioylcarbamate
CID 18539794
1-carbamoyl-3-(dihydroxyamino)urea
CID 3930640
1-aminosulfanyl-3-carbamoylurea
CID 87475269
sodium;1-bromo-3-carbamoylurea;hydride
CID 174408388
O-amino N-carbamoylcarbamothioate
CID 54398285
amino N-carbamothioylcarbamate
CID 151836432
1-carbamothioyl-3-(2-chlorophenyl)urea
CID 134087665
carbamoylurea;fluoroform
CID 174631914
carbamoylcarbamic acid;carbamoylurea
CID 15920414
CID 118590953
CID 118590953

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-3-carbamoylurea?
The IUPAC name of 1-carbamothioyl-3-carbamoylurea (CID 57033303) is 1-carbamothioyl-3-carbamoylurea.
What is the SMILES notation for 1-carbamothioyl-3-carbamoylurea?
The canonical SMILES for 1-carbamothioyl-3-carbamoylurea is NC(=O)NC(=O)NC(N)=S.
What is the InChIKey of 1-carbamothioyl-3-carbamoylurea?
The InChIKey is ROWVDIZQFUJNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4O2S/c4-1(8)6-3(9)7-2(5)10/h(H6,4,5,6,7,8,9,10).
What are the key properties of 1-carbamothioyl-3-carbamoylurea?
1-carbamothioyl-3-carbamoylurea has a molecular weight of 162.17 g/mol, XLogP of -1.39, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-3-carbamoylurea is sourced from PubChem (CID 57033303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).