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

C8H16N2S2 — CID 103709717

IUPAC1-propan-2-yl-3-(thiolan-3-yl)thiourea
SMILESCC(C)NC(=S)NC1CCSC1
InChIInChI=1S/C8H16N2S2/c1-6(2)9-8(11)10-7-3-4-12-5-7/h6-7H,3-5H2,1-2H3,(H2,9,10,11)
InChIKeyAWXKWZNFJBPIFH-UHFFFAOYSA-N
MW204.36 g/mol
LogP1.36
Rot. Bonds2

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

1-propan-2-yl-3-(thiolan-3-yl)thiourea (PubChem CID 103709717) has the molecular formula C8H16N2S2 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1-propan-2-yl-3-(thiolan-3-yl)thiourea.

Molecular Properties

Compound Name1-propan-2-yl-3-(thiolan-3-yl)thiourea
PubChem CID103709717
Molecular FormulaC8H16N2S2
Molecular Weight204.36 g/mol
Exact Mass204.08
IUPAC Name1-propan-2-yl-3-(thiolan-3-yl)thiourea
SMILESCC(C)NC(=S)NC1CCSC1
InChIInChI=1S/C8H16N2S2/c1-6(2)9-8(11)10-7-3-4-12-5-7/h6-7H,3-5H2,1-2H3,(H2,9,10,11)
InChIKeyAWXKWZNFJBPIFH-UHFFFAOYSA-N
XLogP1.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 51.36
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

1-(2-methylpropyl)-3-(thiolan-3-yl)thiourea
CID 103709712
1-propan-2-yl-3-(thiolan-3-ylmethyl)thiourea
CID 107295534
N-propan-2-yl-3-(thiolan-3-ylamino)cyclohexane-1-carboxamide
CID 84587926
2-cyclopropyl-N-(thiolan-3-yl)propanamide
CID 127000268
1-(4-methylcycloheptyl)-3-propan-2-ylthiourea
CID 102794706
1-(1-methoxypropan-2-yl)-3-(thian-4-yl)thiourea
CID 115599640
1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-propan-2-ylthiourea
CID 115662352
2-fluoro-3-methyl-N-(thiolan-3-yl)butanamide
CID 130694647
propan-2-yl N-(thiolan-3-yl)carbamate
CID 103062730
3-amino-N-(thiolan-3-yl)butanamide
CID 103811759
1-cyclohexyl-3-(1-cyclopropylethyl)thiourea
CID 115573118
2-methyl-N-(thian-3-yl)propanamide
CID 115674781

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(thiolan-3-yl)thiourea?
The IUPAC name of 1-propan-2-yl-3-(thiolan-3-yl)thiourea (CID 103709717) is 1-propan-2-yl-3-(thiolan-3-yl)thiourea.
What is the SMILES notation for 1-propan-2-yl-3-(thiolan-3-yl)thiourea?
The canonical SMILES for 1-propan-2-yl-3-(thiolan-3-yl)thiourea is CC(C)NC(=S)NC1CCSC1.
What is the InChIKey of 1-propan-2-yl-3-(thiolan-3-yl)thiourea?
The InChIKey is AWXKWZNFJBPIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S2/c1-6(2)9-8(11)10-7-3-4-12-5-7/h6-7H,3-5H2,1-2H3,(H2,9,10,11).
What are the key properties of 1-propan-2-yl-3-(thiolan-3-yl)thiourea?
1-propan-2-yl-3-(thiolan-3-yl)thiourea has a molecular weight of 204.36 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(thiolan-3-yl)thiourea is sourced from PubChem (CID 103709717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).