1-(carbamothioylamino)-1-propylthiourea

C5H12N4S2 — CID 87990565

IUPAC1-(carbamothioylamino)-1-propylthiourea
SMILESCCCN(NC(N)=S)C(N)=S
InChIInChI=1S/C5H12N4S2/c1-2-3-9(5(7)11)8-4(6)10/h2-3H2,1H3,(H2,7,11)(H3,6,8,10)
InChIKeyBIAKZZPHFRSJCA-UHFFFAOYSA-N
MW192.31 g/mol
LogP-0.31
Rot. Bonds2

About 1-(carbamothioylamino)-1-propylthiourea

1-(carbamothioylamino)-1-propylthiourea (PubChem CID 87990565) has the molecular formula C5H12N4S2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(carbamothioylamino)-1-propylthiourea.

Molecular Properties

Compound Name1-(carbamothioylamino)-1-propylthiourea
PubChem CID87990565
Molecular FormulaC5H12N4S2
Molecular Weight192.31 g/mol
Exact Mass192.05
IUPAC Name1-(carbamothioylamino)-1-propylthiourea
SMILESCCCN(NC(N)=S)C(N)=S
InChIInChI=1S/C5H12N4S2/c1-2-3-9(5(7)11)8-4(6)10/h2-3H2,1H3,(H2,7,11)(H3,6,8,10)
InChIKeyBIAKZZPHFRSJCA-UHFFFAOYSA-N
XLogP-0.31
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 5-0.31
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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Related Compounds

N-butylhydrazine-1,2-dicarbothioamide
CID 12421602
1-ethyl-N1-methylhydrazine-1,2-dicarbothioamide
CID 91723146
1-(Carbamothioylamino)-3-propylthiourea
CID 14566157
1-Amino-1-pentylthiourea
CID 20849971
1-[Carbamothioyl(ethyl)amino]-1-ethylthiourea
CID 21157249
1-Amino-1-butylthiourea
CID 22301220
1-Amino-1-propylthiourea
CID 22301223
1-(2-Methylpropyl)hydrazine-1-carbothioamide
CID 55290675
1-[Carbamothioyl(ethyl)amino]-1-methylthiourea
CID 56977890
1-Butyl-1-[butyl(carbamothioyl)amino]thiourea
CID 57056729
1-[Carbamothioyl(propyl)amino]-1-propylthiourea
CID 57311277
3-(Carbamothioylamino)-1-ethyl-1-(ethylamino)thiourea
CID 88092249

Frequently Asked Questions

What is the IUPAC name of 1-(carbamothioylamino)-1-propylthiourea?
The IUPAC name of 1-(carbamothioylamino)-1-propylthiourea (CID 87990565) is 1-(carbamothioylamino)-1-propylthiourea.
What is the SMILES notation for 1-(carbamothioylamino)-1-propylthiourea?
The canonical SMILES for 1-(carbamothioylamino)-1-propylthiourea is CCCN(NC(N)=S)C(N)=S.
What is the InChIKey of 1-(carbamothioylamino)-1-propylthiourea?
The InChIKey is BIAKZZPHFRSJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4S2/c1-2-3-9(5(7)11)8-4(6)10/h2-3H2,1H3,(H2,7,11)(H3,6,8,10).
What are the key properties of 1-(carbamothioylamino)-1-propylthiourea?
1-(carbamothioylamino)-1-propylthiourea has a molecular weight of 192.31 g/mol, XLogP of -0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamothioylamino)-1-propylthiourea is sourced from PubChem (CID 87990565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).