1-(5-methylthiophen-2-yl)ethylthiourea

C8H12N2S2 — CID 61473975

IUPAC1-(5-methylthiophen-2-yl)ethylthiourea
SMILESCc1ccc(C(C)NC(N)=S)s1
InChIInChI=1S/C8H12N2S2/c1-5-3-4-7(12-5)6(2)10-8(9)11/h3-4,6H,1-2H3,(H3,9,10,11)
InChIKeyBFPKSRCRXQATJN-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.95
Rot. Bonds2

About 1-(5-methylthiophen-2-yl)ethylthiourea

1-(5-methylthiophen-2-yl)ethylthiourea (PubChem CID 61473975) has the molecular formula C8H12N2S2 and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)ethylthiourea.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)ethylthiourea
PubChem CID61473975
Molecular FormulaC8H12N2S2
Molecular Weight200.33 g/mol
Exact Mass200.04
IUPAC Name1-(5-methylthiophen-2-yl)ethylthiourea
SMILESCc1ccc(C(C)NC(N)=S)s1
InChIInChI=1S/C8H12N2S2/c1-5-3-4-7(12-5)6(2)10-8(9)11/h3-4,6H,1-2H3,(H3,9,10,11)
InChIKeyBFPKSRCRXQATJN-UHFFFAOYSA-N
XLogP1.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.95
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-(5-methylthiophen-2-yl)ethylurea
CID 61356567
N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-methylthiophen-2-yl)ethyl]oxamide
CID 54953645
3-amino-2,2,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 65269980
5-carbamothioyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide
CID 63748667
2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 79812423
3-amino-3-hydroxyimino-2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 76921299
2,3-difluoro-4-[1-(5-methylthiophen-2-yl)ethylamino]benzenecarbothioamide
CID 107934687
(2S)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pentanamide
CID 54954200
(2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid
CID 54953706
4-[1-(5-methylthiophen-2-yl)ethylamino]-4-oxobut-2-enoic acid
CID 61473130
(2S)-3-methyl-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]butanoic acid
CID 61475940
5-[1-(5-methylthiophen-2-yl)ethylamino]benzene-1,3-dicarboxamide
CID 43106636

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)ethylthiourea?
The IUPAC name of 1-(5-methylthiophen-2-yl)ethylthiourea (CID 61473975) is 1-(5-methylthiophen-2-yl)ethylthiourea.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)ethylthiourea?
The canonical SMILES for 1-(5-methylthiophen-2-yl)ethylthiourea is Cc1ccc(C(C)NC(N)=S)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)ethylthiourea?
The InChIKey is BFPKSRCRXQATJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S2/c1-5-3-4-7(12-5)6(2)10-8(9)11/h3-4,6H,1-2H3,(H3,9,10,11).
What are the key properties of 1-(5-methylthiophen-2-yl)ethylthiourea?
1-(5-methylthiophen-2-yl)ethylthiourea has a molecular weight of 200.33 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)ethylthiourea is sourced from PubChem (CID 61473975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).