8-(PROPYLTHIO)THEOBROMINE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H14N4O2S
Molecular Weight	254.309
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-(PROPYLTHIO)THEOBROMINE

Structure Search

SMILES

CCCSC1=NC2=C(N1C)C(=O)NC(=O)N2C

InChI

InChIKey=OWVDTHIYHTUYFI-UHFFFAOYSA-N

InChI=1S/C10H14N4O2S/c1-4-5-17-10-11-7-6(13(10)2)8(15)12-9(16)14(7)3/h4-5H2,1-3H3,(H,12,15,16)

HIDE SMILES / InChI

Molecular Formula	C10H14N4O2S
Molecular Weight	254.309
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:11:16 GMT 2025` Edited by `admin` on `Tue Apr 01 20:11:16 GMT 2025`
Record UNII	SN3J1WFN66
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

8-(PROPYLTHIO)THEOBROMINE

Systematic Name

English

NSC-81491

Preferred Name

English

1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-3,7-DIMETHYL-8-(PROPYLTHIO)-

Systematic Name

English

Code System Code Type Description

NSC

81491

Created by admin on Tue Apr 01 20:11:16 GMT 2025 , Edited by admin on Tue Apr 01 20:11:16 GMT 2025

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CAS

74039-58-0

Created by admin on Tue Apr 01 20:11:16 GMT 2025 , Edited by admin on Tue Apr 01 20:11:16 GMT 2025

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PUBCHEM

96606

Created by admin on Tue Apr 01 20:11:16 GMT 2025 , Edited by admin on Tue Apr 01 20:11:16 GMT 2025

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EPA CompTox

DTXSID90224930

Created by admin on Tue Apr 01 20:11:16 GMT 2025 , Edited by admin on Tue Apr 01 20:11:16 GMT 2025

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FDA UNII

SN3J1WFN66

Created by admin on Tue Apr 01 20:11:16 GMT 2025 , Edited by admin on Tue Apr 01 20:11:16 GMT 2025

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