3-carbamothioyl-1-phenyl-1-propylthiourea

C11H15N3S2 — CID 24835818

IUPAC3-carbamothioyl-1-phenyl-1-propylthiourea
SMILESCCCN(C(=S)NC(N)=S)c1ccccc1
InChIInChI=1S/C11H15N3S2/c1-2-8-14(11(16)13-10(12)15)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H3,12,13,15,16)
InChIKeyCCJUJNINXPNMTD-UHFFFAOYSA-N
MW253.40 g/mol
LogP2.02
Rot. Bonds3

About 3-carbamothioyl-1-phenyl-1-propylthiourea

3-carbamothioyl-1-phenyl-1-propylthiourea (PubChem CID 24835818) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is 3-carbamothioyl-1-phenyl-1-propylthiourea.

Molecular Properties

Compound Name3-carbamothioyl-1-phenyl-1-propylthiourea
PubChem CID24835818
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC Name3-carbamothioyl-1-phenyl-1-propylthiourea
SMILESCCCN(C(=S)NC(N)=S)c1ccccc1
InChIInChI=1S/C11H15N3S2/c1-2-8-14(11(16)13-10(12)15)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H3,12,13,15,16)
InChIKeyCCJUJNINXPNMTD-UHFFFAOYSA-N
XLogP2.02
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylcarbamothioyl)-1-phenyl-1-propylthiourea
CID 24835810
propyl N-phenyl-N-propylcarbamodithioate
CID 141103527
N-(3-methylbuta-1,3-dien-2-yl)-N-propylaniline
CID 129113353
1-[2-(diethylamino)ethyl]-1,3-diphenylthiourea
CID 5140739
O-ethyl N-butyl-N-phenylcarbamothioate
CID 154107211
N-[ethyl(phenyl)carbamothioyl]-3-methylbut-2-enamide
CID 5064193
1-(2-hydroxyethyl)-1,3-diphenylthiourea
CID 838392
1-(3-amino-3-sulfanylidenepropyl)-3-butyl-1-phenylurea
CID 28787290
N-(2-amino-2-sulfanylideneethyl)-N'-butyl-N'-phenyloxamide
CID 64591948
copper(1+);N-ethyl-N-phenylcarbamodithioate
CID 142768613
1-butyl-2-methyl-1-phenylguanidine
CID 64586951
3-bromo-N-phenyl-N-propylpropanamide
CID 118001559

Frequently Asked Questions

What is the IUPAC name of 3-carbamothioyl-1-phenyl-1-propylthiourea?
The IUPAC name of 3-carbamothioyl-1-phenyl-1-propylthiourea (CID 24835818) is 3-carbamothioyl-1-phenyl-1-propylthiourea.
What is the SMILES notation for 3-carbamothioyl-1-phenyl-1-propylthiourea?
The canonical SMILES for 3-carbamothioyl-1-phenyl-1-propylthiourea is CCCN(C(=S)NC(N)=S)c1ccccc1.
What is the InChIKey of 3-carbamothioyl-1-phenyl-1-propylthiourea?
The InChIKey is CCJUJNINXPNMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-2-8-14(11(16)13-10(12)15)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H3,12,13,15,16).
What are the key properties of 3-carbamothioyl-1-phenyl-1-propylthiourea?
3-carbamothioyl-1-phenyl-1-propylthiourea has a molecular weight of 253.40 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamothioyl-1-phenyl-1-propylthiourea is sourced from PubChem (CID 24835818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).