[(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea

C10H18N2S — CID 130193513

IUPAC[(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea
SMILESCC/C=C(C)\C(=C/CC)NC(N)=S
InChIInChI=1S/C10H18N2S/c1-4-6-8(3)9(7-5-2)12-10(11)13/h6-7H,4-5H2,1-3H3,(H3,11,12,13)/b8-6-,9-7+
InChIKeySYFSMJFKUGJLLW-MKKAVFGOSA-N
MW198.33 g/mol
LogP2.47
Rot. Bonds4

About [(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea

[(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea (PubChem CID 130193513) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is [(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea.

Molecular Properties

Compound Name[(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea
PubChem CID130193513
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name[(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea
SMILESCC/C=C(C)\C(=C/CC)NC(N)=S
InChIInChI=1S/C10H18N2S/c1-4-6-8(3)9(7-5-2)12-10(11)13/h6-7H,4-5H2,1-3H3,(H3,11,12,13)/b8-6-,9-7+
InChIKeySYFSMJFKUGJLLW-MKKAVFGOSA-N
XLogP2.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 66895957
methanamine;(Z)-pent-2-en-2-amine
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CID 71773699
(2E,4Z)-3-chloro-4-methylhepta-2,4-diene
CID 134365693
(carbamoylamino) 2-methylpent-2-enoate
CID 173054896
14-methyl-5,6,7,8,9,10,11,12,13-nona(propylidene)heptadeca-3,14-dien-4-amine
CID 141248005
N-carbamothioylbutanethioamide
CID 175191210
carbamoylcarbamic acid;2-methylpent-2-eneperoxoic acid
CID 174561405
(E)-N-(diaminomethylidene)-2-methylpent-2-enamide
CID 90783206
N,N-dimethylethanamine;2-methylpent-2-enamide
CID 172721563
carbamoyl 2-methylpent-2-eneperoxoate
CID 173435442
(2E,5E,7E,9E)-2,3-diamino-8-methoxy-5,9-dimethyldodeca-2,5,7,9-tetraen-4-one
CID 168949486

Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea?
The IUPAC name of [(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea (CID 130193513) is [(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea.
What is the SMILES notation for [(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea?
The canonical SMILES for [(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea is CC/C=C(C)\C(=C/CC)NC(N)=S.
What is the InChIKey of [(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea?
The InChIKey is SYFSMJFKUGJLLW-MKKAVFGOSA-N. The full InChI is InChI=1S/C10H18N2S/c1-4-6-8(3)9(7-5-2)12-10(11)13/h6-7H,4-5H2,1-3H3,(H3,11,12,13)/b8-6-,9-7+.
What are the key properties of [(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea?
[(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea has a molecular weight of 198.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea is sourced from PubChem (CID 130193513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).