1-propan-2-yl-3-(propan-2-ylcarbamothioylamino)thiourea

C8H18N4S2 — CID 155366807

IUPAC1-propan-2-yl-3-(propan-2-ylcarbamothioylamino)thiourea
SMILESCC(C)NC(=S)NNC(=S)NC(C)C
InChIInChI=1S/C8H18N4S2/c1-5(2)9-7(13)11-12-8(14)10-6(3)4/h5-6H,1-4H3,(H2,9,11,13)(H2,10,12,14)
InChIKeyPZOXWIGGECIIBE-UHFFFAOYSA-N
MW234.39 g/mol
LogP0.65
Rot. Bonds2

About 1-propan-2-yl-3-(propan-2-ylcarbamothioylamino)thiourea

1-propan-2-yl-3-(propan-2-ylcarbamothioylamino)thiourea (PubChem CID 155366807) has the molecular formula C8H18N4S2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-propan-2-yl-3-(propan-2-ylcarbamothioylamino)thiourea.

Molecular Properties

Compound Name1-propan-2-yl-3-(propan-2-ylcarbamothioylamino)thiourea
PubChem CID155366807
Molecular FormulaC8H18N4S2
Molecular Weight234.39 g/mol
Exact Mass234.10
IUPAC Name1-propan-2-yl-3-(propan-2-ylcarbamothioylamino)thiourea
SMILESCC(C)NC(=S)NNC(=S)NC(C)C
InChIInChI=1S/C8H18N4S2/c1-5(2)9-7(13)11-12-8(14)10-6(3)4/h5-6H,1-4H3,(H2,9,11,13)(H2,10,12,14)
InChIKeyPZOXWIGGECIIBE-UHFFFAOYSA-N
XLogP0.65
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 50.65
H-Bond Donors ≤ 54
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

4-Isopropyl-3-thiosemicarbazide
CID 1809376
1-Ethyl-3-(ethylcarbamothioylamino)thiourea
CID 3500055
1-Amino-3-(ethylcarbamothioylamino)thiourea
CID 130721573
N,N'-dibutylhydrazine-1,2-dicarbothioamide
CID 5386096
4-Sec-butyl-thiosemicarbazide
CID 3962768
Hydrazinecarbothioamide, 1,2-dimethyl-N-(1-methylethyl)-
CID 12077099
4-[2-Dimethylaminopropyl]thiosemicarbazide
CID 5366287
N-butylhydrazine-1,2-dicarbothioamide
CID 12421602
1-Amino-3-[3-(diethylamino)propyl]thiourea
CID 10330564
1-(Carbamothioylamino)-3-propylthiourea
CID 14566157
1-(Carbamothioylamino)-3-propan-2-ylthiourea
CID 20226480
1-(Tert-butylamino)-3-[2-(propan-2-yldiazenyl)propan-2-yl]thiourea
CID 21387010

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(propan-2-ylcarbamothioylamino)thiourea?
The IUPAC name of 1-propan-2-yl-3-(propan-2-ylcarbamothioylamino)thiourea (CID 155366807) is 1-propan-2-yl-3-(propan-2-ylcarbamothioylamino)thiourea.
What is the SMILES notation for 1-propan-2-yl-3-(propan-2-ylcarbamothioylamino)thiourea?
The canonical SMILES for 1-propan-2-yl-3-(propan-2-ylcarbamothioylamino)thiourea is CC(C)NC(=S)NNC(=S)NC(C)C.
What is the InChIKey of 1-propan-2-yl-3-(propan-2-ylcarbamothioylamino)thiourea?
The InChIKey is PZOXWIGGECIIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4S2/c1-5(2)9-7(13)11-12-8(14)10-6(3)4/h5-6H,1-4H3,(H2,9,11,13)(H2,10,12,14).
What are the key properties of 1-propan-2-yl-3-(propan-2-ylcarbamothioylamino)thiourea?
1-propan-2-yl-3-(propan-2-ylcarbamothioylamino)thiourea has a molecular weight of 234.39 g/mol, XLogP of 0.65, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(propan-2-ylcarbamothioylamino)thiourea is sourced from PubChem (CID 155366807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).