1-(carbamothioylamino)-1-methylurea

C3H8N4OS — CID 20832097

IUPAC1-(carbamothioylamino)-1-methylurea
SMILESCN(NC(N)=S)C(N)=O
InChIInChI=1S/C3H8N4OS/c1-7(3(5)8)6-2(4)9/h1H3,(H2,5,8)(H3,4,6,9)
InChIKeyVIPLEVYAKZQJNW-UHFFFAOYSA-N
MW148.19 g/mol
LogP-1.25
Rot. Bonds

About 1-(carbamothioylamino)-1-methylurea

1-(carbamothioylamino)-1-methylurea (PubChem CID 20832097) has the molecular formula C3H8N4OS and a molecular weight of 148.19 g/mol. Its IUPAC name is 1-(carbamothioylamino)-1-methylurea.

Molecular Properties

Compound Name1-(carbamothioylamino)-1-methylurea
PubChem CID20832097
Molecular FormulaC3H8N4OS
Molecular Weight148.19 g/mol
Exact Mass148.04
IUPAC Name1-(carbamothioylamino)-1-methylurea
SMILESCN(NC(N)=S)C(N)=O
InChIInChI=1S/C3H8N4OS/c1-7(3(5)8)6-2(4)9/h1H3,(H2,5,8)(H3,4,6,9)
InChIKeyVIPLEVYAKZQJNW-UHFFFAOYSA-N
XLogP-1.25
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(carbamothioylamino)-1-methylurea?
The IUPAC name of 1-(carbamothioylamino)-1-methylurea (CID 20832097) is 1-(carbamothioylamino)-1-methylurea.
What is the SMILES notation for 1-(carbamothioylamino)-1-methylurea?
The canonical SMILES for 1-(carbamothioylamino)-1-methylurea is CN(NC(N)=S)C(N)=O.
What is the InChIKey of 1-(carbamothioylamino)-1-methylurea?
The InChIKey is VIPLEVYAKZQJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4OS/c1-7(3(5)8)6-2(4)9/h1H3,(H2,5,8)(H3,4,6,9).
What are the key properties of 1-(carbamothioylamino)-1-methylurea?
1-(carbamothioylamino)-1-methylurea has a molecular weight of 148.19 g/mol, XLogP of -1.25, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamothioylamino)-1-methylurea is sourced from PubChem (CID 20832097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).