Chemical identity
Hydroxythiotepa B
CAS 121258-29-5 · C6H14N3OPS
01Identity
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-16798 |
|---|---|
| PubChem CID | 85594840 |
| Name | Hydroxythiotepa B |
| CAS RN | 121258-29-5 |
| Molecular formula | C6H14N3OPS |
| Molecular weight | 207.23 g/mol |
| IUPAC name | P,P-di(aziridin-1-yl)-N-(2-hydroxyethyl)phosphinothioic amide |
| InChIKey | WFXDCORJIAABQB-UHFFFAOYSA-N |
02Structure identifiers

The parsed structure contains 2 rings, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Unassigned stereocentres | 0 |
| Ring count | 2 |
| Secondary amines | 1 |
| Tertiary amines | 2 |
| N-methyl amine sites | 0 |
| SMILES | C1CN1P(=S)(NCCO)N2CC2 |
|---|---|
| InChI | Not listed |
| Formula from structure | C6H14N3OPS |
| Molecular weight from structure | 207.23 g/mol |
03India status for this compound
These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.
| NDPS / RCS | NO EXACT MATCH FOUND | CAS 121258-29-5 has no exact match in the reviewed published schedule. |
|---|---|---|
| SCOMET | NO EXACT REVIEWED CAS MATCH | CAS 121258-29-5 has no exact match in the reviewed SCOMET list. |
| Review date | 2026-08-01 | Recheck the current official instruments for the material, concentration, activity and date in question. |
- Narcotic Drugs and Psychotropic Substances Act, 1985, ScheduleDepartment of Revenue, Government of India · reviewed 2026-08-01
- Controlled-substances notifications and amendmentsDepartment of Revenue, Government of India · reviewed 2026-08-01
- Appendix 3, SCOMET ListDirectorate General of Foreign Trade, Government of India · reviewed 2026-08-01
04Names and relationships
Associated parent compound
Thiotepa
View API and impurity familyOther names
- N-(2-Hydroxyethyl)-P,P-bisaziridinyl Thiophosphamide
- 121258-29-5
- Phosphinothioic amide, P,P-bis(1-aziridinyl)-N-(2-hydroxyethyl)-
- Thiotepa Impurity 2
- P,P-Bis(1-aziridinyl)-N-(2-hydroxyethyl)phosphinothioic Amide
- S2UY7Z3QDY
- IH180621
- P,P-di(aziridin-1-yl)-N-(2-hydroxyethyl)phosphinothioic amide
05Documented history
Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.
No verified discovery, first report, occurrence, use or issue event is currently available for this identity.
06Sources
- S01PubChem compound record, CID 85594840
Names and machine-readable chemical identity properties.
- S02NCBI website and molecular data policies
Reuse policy for NCBI molecular data. This page does not reproduce vendor descriptions or contributed narrative text.
- S03Narcotic Drugs and Psychotropic Substances Act, 1985, Schedule
Department of Revenue, Government of India. Used for the exact-compound India status shown on this page.
- S04Controlled-substances notifications and amendments
Department of Revenue, Government of India. Used for the exact-compound India status shown on this page.
- S05Appendix 3, SCOMET List
Directorate General of Foreign Trade, Government of India. Used for the exact-compound India status shown on this page.
