1-(carbamothioylamino)-3-(2-methylprop-2-enyl)thiourea

C6H12N4S2 — CID 4053602

IUPAC1-(carbamothioylamino)-3-(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CNC(=S)NNC(N)=S
InChIInChI=1S/C6H12N4S2/c1-4(2)3-8-6(12)10-9-5(7)11/h1,3H2,2H3,(H3,7,9,11)(H2,8,10,12)
InChIKeyRLUKEBRTOVLBCR-UHFFFAOYSA-N
MW204.32 g/mol
LogP-0.23
Rot. Bonds2

About 1-(carbamothioylamino)-3-(2-methylprop-2-enyl)thiourea

1-(carbamothioylamino)-3-(2-methylprop-2-enyl)thiourea (PubChem CID 4053602) has the molecular formula C6H12N4S2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-(carbamothioylamino)-3-(2-methylprop-2-enyl)thiourea.

Molecular Properties

Compound Name1-(carbamothioylamino)-3-(2-methylprop-2-enyl)thiourea
PubChem CID4053602
Molecular FormulaC6H12N4S2
Molecular Weight204.32 g/mol
Exact Mass204.05
IUPAC Name1-(carbamothioylamino)-3-(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CNC(=S)NNC(N)=S
InChIInChI=1S/C6H12N4S2/c1-4(2)3-8-6(12)10-9-5(7)11/h1,3H2,2H3,(H3,7,9,11)(H2,8,10,12)
InChIKeyRLUKEBRTOVLBCR-UHFFFAOYSA-N
XLogP-0.23
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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)-3-(2-methylprop-2-enyl)thiourea?
The IUPAC name of 1-(carbamothioylamino)-3-(2-methylprop-2-enyl)thiourea (CID 4053602) is 1-(carbamothioylamino)-3-(2-methylprop-2-enyl)thiourea.
What is the SMILES notation for 1-(carbamothioylamino)-3-(2-methylprop-2-enyl)thiourea?
The canonical SMILES for 1-(carbamothioylamino)-3-(2-methylprop-2-enyl)thiourea is C=C(C)CNC(=S)NNC(N)=S.
What is the InChIKey of 1-(carbamothioylamino)-3-(2-methylprop-2-enyl)thiourea?
The InChIKey is RLUKEBRTOVLBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S2/c1-4(2)3-8-6(12)10-9-5(7)11/h1,3H2,2H3,(H3,7,9,11)(H2,8,10,12).
What are the key properties of 1-(carbamothioylamino)-3-(2-methylprop-2-enyl)thiourea?
1-(carbamothioylamino)-3-(2-methylprop-2-enyl)thiourea has a molecular weight of 204.32 g/mol, XLogP of -0.23, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamothioylamino)-3-(2-methylprop-2-enyl)thiourea is sourced from PubChem (CID 4053602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).